| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 74.6 | Confident | 89.6 | Confident | 197 Ų | 197 | 103.1 Ų | 103.1 | 97% | 0.97 | 50% | 0.5 | S | S | * | . | 0 | 141.8 | 0 | -72.4 | -159.2 | -99.5 | 0 | 0 | 108.8 | T5 | M1-T5 HydrophobicContact SD-CG2 3.95Š| |||
| 2 | S | 89.2 | Confident | 89.8 | Confident | 66 Ų | 66 | 103.8 Ų | 103.8 | 46% | 0.462 | 50% | 0.502 | S | S | . | . | trans | -67.2 | 160.1 | 174.4 | 69.1 | 0 | 0 | 0 | 0 | 110.9 | V4 T5 K6 | S2-V4 PolarHBondContact O-N 3.46Å; S2-T5 PolarHBondContact O-N 3.08Å; S2-T5 PolarHBondContact OG-N 3.11Å; S2-T5 PolarHBondContact OG-OG1 3.23Å; S2-K6 PolarHBondContact O-N 2.85Å | ||
| 3 | I | 87.9 | Confident | 89.9 | Confident | 135 Ų | 135 | 97 Ų | 97 | 69% | 0.692 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -57.4 | -42 | 176 | -63 | 171.3 | 0 | 0 | 0 | 110.2 | T5 K6 R7 | I3-T5 PolarHBondContact O-N 2.76Å; I3-K6 PolarHBondContact O-N 3Å; I3-R7 WeakPolarHBondContact O-CB 3.23Å; I3-R7 PolarHBondContact O-N 3.1Å |
| 4 | V | 90.7 | Very high | 90 | Very high | 93 Ų | 93 | 91.1 Ų | 91.1 | 56% | 0.564 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -61.2 | -46.2 | 178.9 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | S2 K6 R7 K8 | S2-V4 PolarHBondContact O-N 3.46Å; V4-K6 VanDerWaalsContact C-N 3.34Å; V4-K6 PolarHBondContact O-N 3.07Å; V4-R7 PolarHBondContact O-N 2.95Å; V4-K8 WeakPolarHBondContact O-CG 3.46Å; V4-K8 PolarHBondContact O-N 2.93Å; V4-K8 VanDerWaalsContact O-N 3.08Å |
| 5 | T | 92.2 | Very high | 90 | Very high | 71 Ų | 71 | 91.9 Ų | 91.9 | 44% | 0.436 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.8 | -40.1 | 177.7 | -55.6 | 0 | 0 | 0 | 0 | 111.3 | M1 S2 I3 K8 Y9 | M1-T5 HydrophobicContact SD-CG2 3.95Å; S2-T5 PolarHBondContact O-N 3.08Å; S2-T5 PolarHBondContact OG-N 3.11Å; S2-T5 PolarHBondContact OG-OG1 3.23Å; I3-T5 PolarHBondContact O-N 2.76Å; T5-K8 PolarHBondContact O-N 3.4Å; T5-Y9 PolarHBondContact O-N 2.81Å; T5-Y9 VanDerWaalsContact O-N 3.1Å |
| 6 | K | 90.8 | Very high | 90 | Very high | 89 Ų | 89 | 91.4 Ų | 91.4 | 39% | 0.387 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.1 | -42.8 | 178 | -170.2 | 170.2 | -176.8 | 175.5 | 0 | 111.8 | S2 I3 V4 Y9 V10 | S2-K6 PolarHBondContact O-N 2.85Å; I3-K6 PolarHBondContact O-N 3Å; V4-K6 VanDerWaalsContact C-N 3.34Å; V4-K6 PolarHBondContact O-N 3.07Å; K6-Y9 PolarHBondContact O-N 3.41Å; K6-V10 HydrophobicContact CG-CG2 4.5Å; K6-V10 WeakPolarHBondContact O-CB 3.17Å; K6-V10 VanDerWaalsContact O-CG2 3.26Å; K6-V10 WeakPolarHBondContact O-CG2 3.49Å; K6-V10 PolarHBondContact O-N 3.12Å |
| 7 | R | 91.6 | Very high | 90.1 | Very high | 122 Ų | 122 | 90.2 Ų | 90.2 | 46% | 0.46 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -57.8 | -50.2 | 175.1 | -178.7 | 178 | 170.9 | -178.1 | -3 | 111.5 | I3 V4 Y9 V10 E11 | I3-R7 WeakPolarHBondContact O-CB 3.23Å; I3-R7 PolarHBondContact O-N 3.1Å; V4-R7 PolarHBondContact O-N 2.95Å; R7-Y9 VanDerWaalsContact C-N 3.32Å; R7-Y9 PolarHBondContact O-N 3.13Å; R7-V10 PolarHBondContact O-N 3.2Å; R7-V10 VanDerWaalsContact O-N 3.17Å; R7-E11 HydrophobicContact CG-CG 4.39Å; R7-E11 WeakPolarHBondContact CG-OE1 3.37Å; R7-E11 IonicContact CZ-OE1 2.67Å; R7-E11 IonicContact NE-OE1 3.44Å; R7-E11 PolarHBondContact NE-OE1 2.93Å; R7-E11 IonicContact NH2-OE1 3.3Å; R7-E11 PolarHBondContact NH2-OE1 2.79Å; R7-E11 WeakPolarHBondContact O-CG 3.1Å; R7-E11 PolarHBondContact O-N 3.45Å |
| 8 | K | 93 | Very high | 90.1 | Very high | 141 Ų | 141 | 90.6 Ų | 90.6 | 61% | 0.613 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -57.9 | -43.2 | 178.4 | -73.2 | -177 | 178 | -173 | 0 | 112.5 | V4 T5 H12 | V4-K8 WeakPolarHBondContact O-CG 3.46Å; V4-K8 PolarHBondContact O-N 2.93Å; V4-K8 VanDerWaalsContact O-N 3.08Å; T5-K8 PolarHBondContact O-N 3.4Å; K8-H12 VanDerWaalsContact O-CB 3.29Å; K8-H12 WeakPolarHBondContact O-CB 3.2Å; K8-H12 PolarHBondContact O-N 2.89Å |
| 9 | Y | 92.7 | Very high | 90.1 | Very high | 148 Ų | 148 | 87.4 Ų | 87.4 | 58% | 0.58 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.4 | -45.3 | 177.1 | 179.9 | -88.4 | 0 | 0 | 0 | 111.8 | T5 K6 R7 H12 E13 | T5-Y9 PolarHBondContact O-N 2.81Å; T5-Y9 VanDerWaalsContact O-N 3.1Å; K6-Y9 PolarHBondContact O-N 3.41Å; R7-Y9 VanDerWaalsContact C-N 3.32Å; R7-Y9 PolarHBondContact O-N 3.13Å; Y9-H12 PolarHBondContact O-N 3.3Å; Y9-E13 PolarHBondContact O-N 3.11Å |
| 10 | V | 92 | Very high | 90.2 | Very high | 2 Ų | 2 | 85.1 Ų | 85.1 | 1% | 0.012 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -66.2 | -42 | -179.2 | 168.6 | 0 | 0 | 0 | 0 | 111.8 | K6 R7 E13 I14 Y57 H60 I61 | K6-V10 HydrophobicContact CG-CG2 4.5Å; K6-V10 WeakPolarHBondContact O-CB 3.17Å; K6-V10 VanDerWaalsContact O-CG2 3.26Å; K6-V10 WeakPolarHBondContact O-CG2 3.49Å; K6-V10 PolarHBondContact O-N 3.12Å; R7-V10 PolarHBondContact O-N 3.2Å; R7-V10 VanDerWaalsContact O-N 3.17Å; V10-E13 PolarHBondContact O-N 3.25Å; V10-I14 PolarHBondContact O-N 3.36Å; V10-Y57 HydrophobicContact CG1-CD1 3.68Å; V10-Y57 HydrophobicContact CG1-CE1 4.01Å; V10-H60 HydrophobicContact CG1-CB 4.09Å; V10-I61 HydrophobicContact CG1-CD1 3.33Å; V10-I61 HydrophobicContact CG1-CG1 4.05Å |
| 11 | E | 90.8 | Very high | 90.3 | Very high | 70 Ų | 70 | 82.2 Ų | 82.2 | 33% | 0.327 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -63.5 | -42.9 | 174.9 | -73.3 | 173.1 | 177.2 | 0 | 0 | 111.3 | R7 I14 L15 | R7-E11 HydrophobicContact CG-CG 4.39Å; R7-E11 WeakPolarHBondContact CG-OE1 3.37Å; R7-E11 IonicContact CZ-OE1 2.67Å; R7-E11 IonicContact NE-OE1 3.44Å; R7-E11 PolarHBondContact NE-OE1 2.93Å; R7-E11 IonicContact NH2-OE1 3.3Å; R7-E11 PolarHBondContact NH2-OE1 2.79Å; R7-E11 WeakPolarHBondContact O-CG 3.1Å; R7-E11 PolarHBondContact O-N 3.45Å; E11-I14 PolarHBondContact O-N 2.62Å; E11-L15 WeakPolarHBondContact O-CG 3.43Å; E11-L15 PolarHBondContact O-N 2.67Å; E11-L15 VanDerWaalsContact O-N 3.1Å |
| 12 | H | 92.3 | Very high | 91.1 | Very high | 112 Ų | 112 | 79.8 Ų | 79.8 | 52% | 0.519 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.4 | -43.2 | 176.7 | -175.7 | -75.3 | 0 | 0 | 0 | 112.4 | K8 Y9 I14 L15 N16 | K8-H12 VanDerWaalsContact O-CB 3.29Å; K8-H12 WeakPolarHBondContact O-CB 3.2Å; K8-H12 PolarHBondContact O-N 2.89Å; Y9-H12 PolarHBondContact O-N 3.3Å; H12-I14 VanDerWaalsContact C-N 3.31Å; H12-I14 PolarHBondContact O-N 2.66Å; H12-L15 PolarHBondContact O-N 2.99Å; H12-N16 PolarHBondContact CD2-ND2 3.02Å; H12-N16 PolarHBondContact CE1-ND2 2.9Å; H12-N16 VanDerWaalsContact CE1-ND2 3.33Å; H12-N16 PolarHBondContact NE2-ND2 2.78Å; H12-N16 WeakPolarHBondContact O-CB 3.03Å; H12-N16 PolarHBondContact O-N 2.84Å; H12-N16 PolarHBondContact O-ND2 3.43Å |
| 13 | E | 91.4 | Very high | 91.1 | Very high | 15 Ų | 15 | 82.7 Ų | 82.7 | 7% | 0.07 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -58.6 | -42.6 | 177 | -171.9 | -171.4 | 146.8 | 0 | 0 | 111.1 | Y9 V10 D17 K56 R86 | Y9-E13 PolarHBondContact O-N 3.11Å; V10-E13 PolarHBondContact O-N 3.25Å; E13-D17 WeakPolarHBondContact O-CB 3.41Å; E13-D17 PolarHBondContact O-N 3.45Å; E13-D17 VanDerWaalsContact O-N 3.1Å; E13-K56 IonicContact OE1-NZ 3.66Å; E13-K56 PolarHBondContact OE1-NZ 2.94Å; E13-K56 IonicContact OE2-NZ 2.7Å; E13-R86 IonicContact OE1-CZ 3.98Å |
| 14 | I | 90.6 | Very high | 91.3 | Very high | 15 Ų | 15 | 80.4 Ų | 80.4 | 8% | 0.077 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -73.9 | -37.2 | -177.2 | -69.1 | 178.1 | 0 | 0 | 0 | 112.4 | V10 E11 H12 Y57 I61 L89 | V10-I14 PolarHBondContact O-N 3.36Å; E11-I14 PolarHBondContact O-N 2.62Å; H12-I14 VanDerWaalsContact C-N 3.31Å; H12-I14 PolarHBondContact O-N 2.66Å; I14-Y57 HydrophobicContact CD1-CD1 4.43Å; I14-Y57 HydrophobicContact CD1-CE1 3.95Å; I14-Y57 HydrophobicContact CG1-CE1 4.27Å; I14-I61 HydrophobicContact CD1-CD1 3.11Å; I14-I61 HydrophobicContact CD1-CG1 3.58Å; I14-I61 HydrophobicContact CD1-CG2 4.48Å; I14-I61 HydrophobicContact CG1-CD1 4.46Å; I14-L89 HydrophobicContact CG2-CD1 3.57Å; I14-L89 HydrophobicContact CG2-CG 3.78Å |
| 15 | L | 90.3 | Very high | 91.5 | Very high | 102 Ų | 102 | 77.8 Ų | 77.8 | 53% | 0.534 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -77.5 | -36.8 | -176.8 | -71.2 | 168.5 | 0 | 0 | 0 | 113 | E11 H12 L89 | E11-L15 WeakPolarHBondContact O-CG 3.43Å; E11-L15 PolarHBondContact O-N 2.67Å; E11-L15 VanDerWaalsContact O-N 3.1Å; H12-L15 PolarHBondContact O-N 2.99Å; L15-L89 HydrophobicContact CD2-CD1 3.59Å; L15-L89 HydrophobicContact CG-CD1 4.4Å |
| 16 | N | 90.3 | Very high | 91.6 | Very high | 85 Ų | 85 | 77 Ų | 77 | 46% | 0.455 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -107.5 | -28.1 | -169.3 | -60.7 | -44.3 | 0 | 0 | 0 | 113.7 | H12 F18 | H12-N16 PolarHBondContact CD2-ND2 3.02Å; H12-N16 PolarHBondContact CE1-ND2 2.9Å; H12-N16 VanDerWaalsContact CE1-ND2 3.33Å; H12-N16 PolarHBondContact NE2-ND2 2.78Å; H12-N16 WeakPolarHBondContact O-CB 3.03Å; H12-N16 PolarHBondContact O-N 2.84Å; H12-N16 PolarHBondContact O-ND2 3.43Å; N16-F18 PolarHBondContact O-N 2.93Å |
| 17 | D | 90.7 | Very high | 91.9 | Very high | 70 Ų | 70 | 73.2 Ų | 73.2 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | trans | -90.2 | 95.5 | -177 | -61.3 | -7.7 | 0 | 0 | 0 | 110.7 | E13 R86 N92 | E13-D17 WeakPolarHBondContact O-CB 3.41Å; E13-D17 PolarHBondContact O-N 3.45Å; E13-D17 VanDerWaalsContact O-N 3.1Å; D17-R86 IonicContact OD2-NH1 2.73Å; D17-N92 PolarHBondContact O-ND2 3.12Å | ||
| 18 | F | 90.5 | Very high | 92.1 | Very high | 98 Ų | 98 | 67.4 Ų | 67.4 | 43% | 0.43 | 34% | 0.335 | S | S | . | . | trans | -76.1 | 124.7 | 170.4 | -54.5 | -56.6 | 0 | 0 | 0 | 110.5 | N16 N92 Y95 | N16-F18 PolarHBondContact O-N 2.93Å; F18-N92 HydrophobicContact CD1-CB 4.05Å; F18-N92 VanDerWaalsContact CD1-CG 3.49Å; F18-N92 WeakPolarHBondContact CE1-OD1 3.41Å; F18-Y95 HydrophobicContact CB-CD1 3.44Å; F18-Y95 VanDerWaalsContact CB-CD1 3.44Å; F18-Y95 HydrophobicContact CB-CE1 3.86Å; F18-Y95 HydrophobicContact CB-CG 3.92Å; F18-Y95 HydrophobicContact CG-CD1 4.32Å; F18-Y95 HydrophobicContact CG-CG 4.34Å | ||
| 19 | V | 90.4 | Very high | 92.2 | Very high | 30 Ų | 30 | 64.6 Ų | 64.6 | 18% | 0.182 | 32% | 0.321 | C | S | . | . | trans | -127.2 | 134.5 | -179 | 174.1 | 0 | 0 | 0 | 0 | 110.7 | L70 Y85 | V19-L70 HydrophobicContact CG1-CD2 4.18Å; V19-Y85 HydrophobicContact CG1-CE1 4.2Å | ||
| 20 | L | 92.2 | Very high | 92.4 | Very high | 41 Ų | 41 | 57.6 Ų | 57.6 | 22% | 0.215 | 29% | 0.294 | C | S | . | . | trans | -83.7 | 144.3 | 174.8 | -59 | 179.5 | 0 | 0 | 0 | 111.2 | K22 Y95 I96 E99 L101 | L20-K22 PolarHBondContact O-N 2.99Å; L20-K22 VanDerWaalsContact O-N 3.16Å; L20-Y95 HydrophobicContact CD1-CE1 4.45Å; L20-Y95 HydrophobicContact CD2-CD1 3.73Å; L20-Y95 HydrophobicContact CD2-CE1 3.39Å; L20-Y95 HydrophobicContact CG-CE1 3.79Å; L20-I96 HydrophobicContact CD2-CG1 4.3Å; L20-E99 HydrophobicContact CD1-CG 4.34Å; L20-E99 HydrophobicContact CD2-CB 4Å; L20-E99 HydrophobicContact CD2-CG 3.85Å; L20-L101 HydrophobicContact CB-CD1 4.07Å; L20-L101 HydrophobicContact CD1-CD1 4.35Å; L20-L101 HydrophobicContact CD2-CD1 4.31Å; L20-L101 HydrophobicContact CG-CD1 4.47Å | ||
| 21 | P | 91.4 | Very high | 92.6 | Very high | 24 Ų | 24 | 58.4 Ų | 58.4 | 16% | 0.156 | 30% | 0.299 | C | S | . | . | trans | -64 | 115.4 | 173.1 | 28 | -33.8 | 0 | 0 | 0 | 109.5 | I27 L70 I96 L101 | P21-I27 HydrophobicContact CB-CG1 4.48Å; P21-I27 HydrophobicContact CG-CD1 4.27Å; P21-L70 HydrophobicContact CB-CD1 3.81Å; P21-I96 HydrophobicContact CG-CG2 4.36Å; P21-L101 HydrophobicContact CG-CB 3.81Å; P21-L101 HydrophobicContact CG-CD1 4.13Å | ||
| 22 | K | 91.6 | Very high | 92.8 | Very high | 146 Ų | 146 | 56.3 Ų | 56.3 | 64% | 0.635 | 29% | 0.293 | S | S | * | . | trans | -106.7 | 135.9 | 174.2 | -66.9 | -179.5 | -176.9 | 177.1 | 0 | 109.2 | L20 M25 | L20-K22 PolarHBondContact O-N 2.99Å; L20-K22 VanDerWaalsContact O-N 3.16Å; K22-M25 WeakPolarHBondContact O-CA 3.47Å; K22-M25 WeakPolarHBondContact O-CB 3.48Å; K22-M25 VanDerWaalsContact O-CG 3.29Å; K22-M25 WeakPolarHBondContact O-CG 3.37Å; K22-M25 PolarHBondContact O-N 2.92Å | ||
| 23 | P | 90 | Very high | 92.9 | Very high | 127 Ų | 127 | 55.1 Ų | 55.1 | 83% | 0.825 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | 136.7 | 173.7 | -24.5 | 34.3 | 0 | 0 | 0 | 111.3 | ||
| 24 | P | 92.7 | Very high | 93.1 | Very high | 87 Ų | 87 | 60.3 Ų | 60.3 | 57% | 0.565 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -90.5 | 12.6 | 9.3 | 38 | -37.5 | 0 | 0 | 0 | 114.9 | P73 | P24-P73 HydrophobicContact CB-CG 3.82Å; P24-P73 HydrophobicContact CG-CG 4.12Å; P24-P73 WeakPolarHBondContact O-CD 3.43Å; P24-P73 WeakPolarHBondContact O-CG 3.29Å |
| 25 | M | 94.4 | Very high | 93.2 | Very high | 39 Ų | 39 | 61.7 Ų | 61.7 | 19% | 0.192 | 33% | 0.332 | C | S | . | . | trans | -69.9 | 150.2 | 179.7 | -51.7 | 175.8 | 173.4 | 0 | 0 | 111.9 | K22 L70 C71 E72 Y85 | K22-M25 WeakPolarHBondContact O-CA 3.47Å; K22-M25 WeakPolarHBondContact O-CB 3.48Å; K22-M25 VanDerWaalsContact O-CG 3.29Å; K22-M25 WeakPolarHBondContact O-CG 3.37Å; K22-M25 PolarHBondContact O-N 2.92Å; M25-L70 HydrophobicContact CB-CD1 3.92Å; M25-L70 HydrophobicContact CB-CG 4.42Å; M25-L70 HydrophobicContact SD-CD2 4.34Å; M25-C71 CarbonylContact C-O 3.56Å; M25-C71 WeakPolarHBondContact CA-O 2.74Å; M25-C71 WeakPolarHBondContact CB-O 3.49Å; M25-E72 HydrophobicContact CG-CB 4.31Å; M25-E72 HydrophobicContact CG-CG 4.43Å; M25-Y85 HydrophobicContact CE-CD1 4.06Å; M25-Y85 HydrophobicContact CE-CD2 3.75Å; M25-Y85 HydrophobicContact CE-CE1 4.1Å; M25-Y85 HydrophobicContact CE-CE2 3.85Å; M25-Y85 HydrophobicContact CE-CG 3.89Å; M25-Y85 HydrophobicContact SD-CD1 3.9Å; M25-Y85 HydrophobicContact SD-CE1 4.2Å; M25-Y85 HydrophobicContact SD-CG 4.11Å | ||
| 26 | F | 94.6 | Very high | 93.4 | Very high | 53 Ų | 53 | 63.6 Ų | 63.6 | 23% | 0.232 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 159 | -178.9 | 63.8 | -84.9 | 0 | 0 | 0 | 111.3 | A28 F49 C71 P73 A82 | F26-A28 HydrophobicContact CD2-CB 4.49Å; F26-A28 HydrophobicContact CE2-CB 4.16Å; F26-F49 HydrophobicContact CE2-CE1 4.41Å; F26-F49 HydrophobicContact CE2-CE2 4.13Å; F26-F49 AromaticContact CE2-CZ 3.61Å; F26-F49 HydrophobicContact CE2-CZ 3.61Å; F26-F49 HydrophobicContact CZ-CE2 4Å; F26-F49 AromaticContact CZ-CZ 3.93Å; F26-F49 HydrophobicContact CZ-CZ 3.93Å; F26-C71 HydrophobicContact CE1-CB 4.18Å; F26-C71 HydrophobicContact CE2-CB 4.13Å; F26-C71 HydrophobicContact CZ-CB 3.92Å; F26-C71 PolarHBondContact N-O 3.28Å; F26-C71 PolarHBondContact O-N 3.44Å; F26-P73 HydrophobicContact CE1-CB 4.07Å; F26-P73 HydrophobicContact CE1-CG 4.4Å; F26-A82 HydrophobicContact CE1-CB 4.23Å; F26-A82 HydrophobicContact CZ-CB 3.93Å |
| 27 | I | 95.8 | Very high | 93.6 | Very high | 10 Ų | 10 | 62.6 Ų | 62.6 | 5% | 0.051 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 136.7 | 179.5 | -62 | 169.7 | 0 | 0 | 0 | 109.1 | P21 L70 L88 I96 W102 P103 F106 | P21-I27 HydrophobicContact CB-CG1 4.48Å; P21-I27 HydrophobicContact CG-CD1 4.27Å; I27-L70 HydrophobicContact CG1-CD1 4.26Å; I27-L88 HydrophobicContact CD1-CD1 4.46Å; I27-L88 HydrophobicContact CG1-CD1 4.27Å; I27-L88 HydrophobicContact CG2-CD1 4.11Å; I27-I96 HydrophobicContact CD1-CD1 4.47Å; I27-I96 HydrophobicContact CD1-CG2 3.94Å; I27-W102 HydrophobicContact CD1-CE3 3.97Å; I27-W102 HydrophobicContact CD1-CZ3 4.13Å; I27-W102 HydrophobicContact CG2-CH2 4.38Å; I27-W102 HydrophobicContact CG2-CZ3 4.25Å; I27-P103 HydrophobicContact CB-CG 4.39Å; I27-F106 HydrophobicContact CG2-CD2 4.08Å; I27-F106 HydrophobicContact CG2-CE2 4.06Å |
| 28 | A | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 152.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | F26 A41 E42 F49 Y68 V69 | F26-A28 HydrophobicContact CD2-CB 4.49Å; F26-A28 HydrophobicContact CE2-CB 4.16Å; A28-A41 HydrophobicContact CB-CB 3.96Å; A28-E42 CarbonylContact C-O 3.57Å; A28-E42 VanDerWaalsContact CA-O 3.3Å; A28-E42 WeakPolarHBondContact CA-O 3.43Å; A28-E42 WeakPolarHBondContact CB-O 3.47Å; A28-F49 HydrophobicContact CB-CZ 3.96Å; A28-Y68 WeakPolarHBondContact O-CA 3.47Å; A28-V69 HydrophobicContact CB-CG2 4.25Å; A28-V69 PolarHBondContact N-O 3.02Å; A28-V69 WeakPolarHBondContact O-CG2 3.49Å; A28-V69 PolarHBondContact O-N 3.1Å |
| 29 | R | 96 | Very high | 94.1 | Very high | 82 Ų | 82 | 57.4 Ų | 57.4 | 31% | 0.309 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 130 | 175.3 | -175.3 | -179.8 | 68.1 | 172.1 | -2.5 | 110.4 | A41 E42 Y68 F106 | R29-A41 CarbonylContact O-C 3.52Å; R29-A41 VanDerWaalsContact O-CA 3.23Å; R29-A41 WeakPolarHBondContact O-CA 3.34Å; R29-E42 IonicContact CZ-OE2 3.49Å; R29-E42 PolarHBondContact N-O 2.82Å; R29-E42 IonicContact NE-OE2 3.53Å; R29-E42 IonicContact NH2-OE2 3.72Å; R29-E42 PolarHBondContact NH2-OE2 3.31Å; R29-E42 PolarHBondContact O-N 2.96Å; R29-Y68 HydrophobicContact CB-CD1 4.04Å; R29-Y68 HydrophobicContact CB-CE1 3.9Å; R29-Y68 HydrophobicContact CG-CD1 4.28Å; R29-Y68 HydrophobicContact CG-CE1 3.93Å; R29-F106 HydrophobicContact CB-CD1 4.32Å; R29-F106 HydrophobicContact CB-CE1 3.91Å; R29-F106 HydrophobicContact CB-CZ 4.27Å |
| 30 | V | 96.5 | Very high | 94.4 | Very high | 2 Ų | 2 | 56.9 Ų | 56.9 | 1% | 0.012 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.7 | 124.3 | 179.3 | -179.9 | 0 | 0 | 0 | 0 | 110.8 | H39 I63 G66 M67 V69 | V30-H39 HydrophobicContact CG1-CB 4.15Å; V30-I63 HydrophobicContact CB-CG2 4.03Å; V30-I63 HydrophobicContact CG1-CG2 3.87Å; V30-I63 HydrophobicContact CG2-CG2 3.82Å; V30-G66 PolarHBondContact O-N 2.76Å; V30-M67 PolarHBondContact N-O 3.04Å; V30-V69 HydrophobicContact CG2-CG1 3.87Å; V30-V69 HydrophobicContact CG2-CG2 3.77Å |
| 31 | T | 96.1 | Very high | 94.6 | Very high | 19 Ų | 19 | 55 Ų | 55 | 12% | 0.117 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | -49.4 | -178.2 | -62.7 | 0 | 0 | 0 | 0 | 111.5 | E40 R65 | T31-E40 WeakPolarHBondContact CG2-OE2 3.49Å; T31-E40 PolarHBondContact N-O 3.14Å; T31-R65 WeakPolarHBondContact O-CB 3.44Å; T31-R65 WeakPolarHBondContact O-CD 3.39Å; T31-R65 WeakPolarHBondContact O-CG 3.23Å |
| 32 | A | 95.6 | Very high | 94.8 | Very high | 25 Ų | 25 | 55.5 Ų | 55.5 | 21% | 0.207 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 145.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E40 | A32-E40 PolarHBondContact N-O 2.8Å; A32-E40 PolarHBondContact O-N 3.46Å |
| 33 | P | 94.9 | Very high | 95 | Very high | 87 Ų | 87 | 49.2 Ų | 49.2 | 57% | 0.565 | 27% | 0.274 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 144.1 | 166.7 | 30.4 | -33.6 | 0 | 0 | 0 | 110.5 | ||
| 34 | R | 94.8 | Very high | 95.1 | Very high | 124 Ų | 124 | 48.5 Ų | 48.5 | 47% | 0.468 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 0 | -178.6 | -69.3 | -74 | 149.3 | 87.4 | 2.5 | 114.2 | L38 E40 L50 | R34-L38 HydrophobicContact CB-CB 4.28Å; R34-L38 PolarHBondContact N-O 3.42Å; R34-E40 HydrophobicContact CG-CB 4.08Å; R34-E40 IonicContact CZ-OE1 3.45Å; R34-E40 IonicContact CZ-OE2 3.47Å; R34-E40 IonicContact NH1-OE1 2.62Å; R34-E40 PolarHBondContact NH1-OE1 3.01Å; R34-E40 IonicContact NH1-OE2 3.27Å; R34-E40 PolarHBondContact NH1-OE2 2.95Å; R34-E40 IonicContact NH2-OE1 3.36Å; R34-E40 PolarHBondContact NH2-OE1 3.2Å; R34-E40 IonicContact NH2-OE2 2.76Å; R34-E40 PolarHBondContact NH2-OE2 3.04Å; R34-L50 HydrophobicContact CB-CD2 4.07Å; R34-L50 HydrophobicContact CG-CD2 3.62Å |
| 35 | G | 93.3 | Very high | 95.1 | Very high | 44 Ų | 44 | 48.7 Ų | 48.7 | 45% | 0.454 | 26% | 0.263 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 84 | 172.6 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | N37 L38 | G35-N37 PolarHBondContact O-N 2.73Å; G35-N37 VanDerWaalsContact O-N 3.14Å; G35-L38 WeakPolarHBondContact O-CA 3.41Å; G35-L38 VanDerWaalsContact O-CB 3.31Å; G35-L38 WeakPolarHBondContact O-CB 3.41Å; G35-L38 PolarHBondContact O-N 3.46Å |
| 36 | N | 94.2 | Very high | 95 | Very high | 142 Ų | 142 | 48.5 Ų | 48.5 | 76% | 0.759 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.5 | 36.8 | -178.7 | -164.4 | 28.6 | 0 | 0 | 0 | 114.9 | L38 | N36-L38 PolarHBondContact O-N 3.35Š|
| 37 | N | 93.8 | Very high | 95 | Very high | 64 Ų | 64 | 51.3 Ų | 51.3 | 34% | 0.342 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 60.7 | 23.6 | -175 | -46 | -77.7 | 0 | 0 | 0 | 114.2 | G35 M53 R58 | G35-N37 PolarHBondContact O-N 2.73Å; G35-N37 VanDerWaalsContact O-N 3.14Å; N37-M53 HydrophobicContact CB-CB 4.2Å; N37-M53 WeakPolarHBondContact O-CB 3.34Å; N37-M53 PolarHBondContact O-N 3.41Å; N37-R58 HydrophobicContact CB-CG 4.25Å; N37-R58 WeakPolarHBondContact OD1-CG 3.37Å |
| 38 | L | 95.3 | Very high | 94.9 | Very high | 37 Ų | 37 | 58.4 Ų | 58.4 | 19% | 0.194 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 142 | 172.7 | -56.4 | 178.4 | 0 | 0 | 0 | 110.5 | R34 G35 N36 L50 V51 V80 | R34-L38 HydrophobicContact CB-CB 4.28Å; R34-L38 PolarHBondContact N-O 3.42Å; G35-L38 WeakPolarHBondContact O-CA 3.41Å; G35-L38 VanDerWaalsContact O-CB 3.31Å; G35-L38 WeakPolarHBondContact O-CB 3.41Å; G35-L38 PolarHBondContact O-N 3.46Å; N36-L38 PolarHBondContact O-N 3.35Å; L38-L50 HydrophobicContact CD1-CD1 4.36Å; L38-V51 WeakPolarHBondContact CA-O 3.41Å; L38-V80 HydrophobicContact CD1-CG2 4.15Å; L38-V80 HydrophobicContact CD2-CG1 4.38Å; L38-V80 HydrophobicContact CD2-CG2 3.81Å |
| 39 | H | 96.4 | Very high | 94.9 | Very high | 22 Ų | 22 | 59.2 Ų | 59.2 | 10% | 0.102 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 140.8 | 174.5 | -57.6 | -90.8 | 0 | 0 | 0 | 109.1 | V30 L50 V51 | V30-H39 HydrophobicContact CG1-CB 4.15Å; H39-L50 CarbonylContact O-C 3.59Å; H39-L50 WeakPolarHBondContact O-CA 3.3Å; H39-V51 HydrophobicContact CB-CG2 3.82Å; H39-V51 PolarHBondContact N-O 2.93Å; H39-V51 WeakPolarHBondContact O-CG2 3.35Å; H39-V51 PolarHBondContact O-N 3.43Å |
| 40 | E | 96.8 | Very high | 94.9 | Very high | 20 Ų | 20 | 57.1 Ų | 57.1 | 9% | 0.093 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 126.1 | 165.8 | -176.2 | -177.3 | -115.3 | 0 | 0 | 109 | T31 A32 R34 R48 F49 L50 | T31-E40 WeakPolarHBondContact CG2-OE2 3.49Å; T31-E40 PolarHBondContact N-O 3.14Å; A32-E40 PolarHBondContact N-O 2.8Å; A32-E40 PolarHBondContact O-N 3.46Å; R34-E40 HydrophobicContact CG-CB 4.08Å; R34-E40 IonicContact CZ-OE1 3.45Å; R34-E40 IonicContact CZ-OE2 3.47Å; R34-E40 IonicContact NH1-OE1 2.62Å; R34-E40 PolarHBondContact NH1-OE1 3.01Å; R34-E40 IonicContact NH1-OE2 3.27Å; R34-E40 PolarHBondContact NH1-OE2 2.95Å; R34-E40 IonicContact NH2-OE1 3.36Å; R34-E40 PolarHBondContact NH2-OE1 3.2Å; R34-E40 IonicContact NH2-OE2 2.76Å; R34-E40 PolarHBondContact NH2-OE2 3.04Å; E40-R48 HydrophobicContact CG-CB 4.3Å; E40-F49 WeakPolarHBondContact CA-O 3.41Å; E40-L50 HydrophobicContact CB-CD2 4.41Å |
| 41 | A | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 156.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | A28 R29 R48 F49 V51 | A28-A41 HydrophobicContact CB-CB 3.96Å; R29-A41 CarbonylContact O-C 3.52Å; R29-A41 VanDerWaalsContact O-CA 3.23Å; R29-A41 WeakPolarHBondContact O-CA 3.34Å; A41-R48 WeakPolarHBondContact O-CA 3.29Å; A41-F49 HydrophobicContact CB-CE2 4.17Å; A41-F49 HydrophobicContact CB-CZ 4.06Å; A41-F49 PolarHBondContact N-O 3.35Å; A41-F49 PolarHBondContact O-N 3.5Å; A41-V51 HydrophobicContact CB-CG1 3.85Å; A41-V51 HydrophobicContact CB-CG2 4.11Å |
| 42 | E | 95.8 | Very high | 94.9 | Very high | 35 Ų | 35 | 57.1 Ų | 57.1 | 16% | 0.164 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 130 | 177 | -175.1 | 177.5 | -163.6 | 0 | 0 | 109 | A28 R29 E47 | A28-E42 CarbonylContact C-O 3.57Å; A28-E42 VanDerWaalsContact CA-O 3.3Å; A28-E42 WeakPolarHBondContact CA-O 3.43Å; A28-E42 WeakPolarHBondContact CB-O 3.47Å; R29-E42 IonicContact CZ-OE2 3.49Å; R29-E42 PolarHBondContact N-O 2.82Å; R29-E42 IonicContact NE-OE2 3.53Å; R29-E42 IonicContact NH2-OE2 3.72Å; R29-E42 PolarHBondContact NH2-OE2 3.31Å; R29-E42 PolarHBondContact O-N 2.96Å; E42-E47 WeakPolarHBondContact CA-O 3.27Å |
| 43 | S | 94.6 | Very high | 94.8 | Very high | 14 Ų | 14 | 56.2 Ų | 56.2 | 10% | 0.098 | 30% | 0.302 | C | S | . | . | trans | -80.7 | 174 | 178.1 | 58.3 | 0 | 0 | 0 | 0 | 111.2 | S45 G46 E47 | S43-S45 PolarHBondContact O-N 3.36Å; S43-S45 PolarHBondContact OG-N 3.21Å; S43-G46 PolarHBondContact O-N 3.42Å; S43-E47 PolarHBondContact N-O 3.05Å; S43-E47 PolarHBondContact OG-N 3.5Å; S43-E47 PolarHBondContact OG-O 3.08Å | ||
| 44 | E | 93 | Very high | 94.8 | Very high | 112 Ų | 112 | 52.6 Ų | 52.6 | 52% | 0.523 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -28.8 | 169.3 | 63.6 | -178.3 | -170.1 | 0 | 0 | 113.2 | G46 P103 | E44-G46 VanDerWaalsContact C-N 3.27Å; E44-G46 PolarHBondContact O-N 3.48Å; E44-P103 HydrophobicContact CB-CB 4.48Å |
| 45 | S | 92.5 | Very high | 94.7 | Very high | 91 Ų | 91 | 51.2 Ų | 51.2 | 64% | 0.636 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -5.8 | 177.4 | -46.5 | 0 | 0 | 0 | 0 | 113.9 | S43 E47 | S43-S45 PolarHBondContact O-N 3.36Å; S43-S45 PolarHBondContact OG-N 3.21Å; S45-E47 VanDerWaalsContact C-N 3.29Å |
| 46 | G | 92.4 | Very high | 94.6 | Very high | 36 Ų | 36 | 51.8 Ų | 51.8 | 37% | 0.371 | 27% | 0.274 | S | S | . | . | trans | 79.8 | 6.2 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | S43 E44 | S43-G46 PolarHBondContact O-N 3.42Å; E44-G46 VanDerWaalsContact C-N 3.27Å; E44-G46 PolarHBondContact O-N 3.48Å | ||
| 47 | E | 93.6 | Very high | 94.6 | Very high | 112 Ų | 112 | 45 Ų | 45 | 52% | 0.523 | 24% | 0.238 | S | C | . | . | trans | -75.2 | 135.6 | 175 | -67.6 | -170 | -172.8 | 0 | 0 | 110.8 | E42 S43 S45 F49 K81 | E42-E47 WeakPolarHBondContact CA-O 3.27Å; S43-E47 PolarHBondContact N-O 3.05Å; S43-E47 PolarHBondContact OG-N 3.5Å; S43-E47 PolarHBondContact OG-O 3.08Å; S45-E47 VanDerWaalsContact C-N 3.29Å; E47-F49 WeakPolarHBondContact O-CD1 3.45Å; E47-K81 IonicContact OE2-NZ 4Å | ||
| 48 | R | 94.9 | Very high | 94.5 | Very high | 159 Ų | 159 | 46.1 Ų | 46.1 | 60% | 0.6 | 24% | 0.237 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 133.8 | 174.7 | -60.7 | -175.6 | -173.6 | -176.9 | 4.9 | 111 | E40 A41 | E40-R48 HydrophobicContact CG-CB 4.3Å; A41-R48 WeakPolarHBondContact O-CA 3.29Å |
| 49 | F | 95.3 | Very high | 94.2 | Very high | 16 Ų | 16 | 53.3 Ų | 53.3 | 7% | 0.07 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 166 | 178.5 | 53.8 | -81.1 | 0 | 0 | 0 | 110.4 | F26 A28 E40 A41 E47 V51 K81 A82 | F26-F49 HydrophobicContact CE2-CE1 4.41Å; F26-F49 HydrophobicContact CE2-CE2 4.13Å; F26-F49 AromaticContact CE2-CZ 3.61Å; F26-F49 HydrophobicContact CE2-CZ 3.61Å; F26-F49 HydrophobicContact CZ-CE2 4Å; F26-F49 AromaticContact CZ-CZ 3.93Å; F26-F49 HydrophobicContact CZ-CZ 3.93Å; A28-F49 HydrophobicContact CB-CZ 3.96Å; E40-F49 WeakPolarHBondContact CA-O 3.41Å; A41-F49 HydrophobicContact CB-CE2 4.17Å; A41-F49 HydrophobicContact CB-CZ 4.06Å; A41-F49 PolarHBondContact N-O 3.35Å; A41-F49 PolarHBondContact O-N 3.5Å; E47-F49 WeakPolarHBondContact O-CD1 3.45Å; F49-V51 HydrophobicContact CD2-CG1 3.63Å; F49-V51 HydrophobicContact CE2-CG1 3.25Å; F49-V51 HydrophobicContact CZ-CG1 4.31Å; F49-K81 HydrophobicContact CB-CB 4.08Å; F49-K81 HydrophobicContact CB-CD 3.78Å; F49-K81 HydrophobicContact CB-CG 3.97Å; F49-K81 HydrophobicContact CD2-CB 4.11Å; F49-K81 HydrophobicContact CG-CB 4.29Å; F49-K81 HydrophobicContact CG-CD 4.39Å; F49-A82 HydrophobicContact CE2-CB 4.19Å |
| 50 | L | 96.3 | Very high | 93.9 | Very high | 38 Ų | 38 | 53.2 Ų | 53.2 | 20% | 0.199 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 136.2 | 173.4 | -59.3 | 176 | 0 | 0 | 0 | 110 | R34 L38 H39 E40 K79 V80 K81 | R34-L50 HydrophobicContact CB-CD2 4.07Å; R34-L50 HydrophobicContact CG-CD2 3.62Å; L38-L50 HydrophobicContact CD1-CD1 4.36Å; H39-L50 CarbonylContact O-C 3.59Å; H39-L50 WeakPolarHBondContact O-CA 3.3Å; E40-L50 HydrophobicContact CB-CD2 4.41Å; L50-K79 WeakPolarHBondContact CB-O 3.31Å; L50-K79 HydrophobicContact CD1-CB 4.38Å; L50-V80 HydrophobicContact CB-CG2 4.09Å; L50-V80 CarbonylContact O-C 3.49Å; L50-V80 WeakPolarHBondContact O-CA 3.5Å; L50-K81 PolarHBondContact O-N 2.85Å |
| 51 | V | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 53.8 Ų | 53.8 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 138 | 171 | -59.6 | 0 | 0 | 0 | 0 | 110.6 | L38 H39 A41 F49 A82 I84 | L38-V51 WeakPolarHBondContact CA-O 3.41Å; H39-V51 HydrophobicContact CB-CG2 3.82Å; H39-V51 PolarHBondContact N-O 2.93Å; H39-V51 WeakPolarHBondContact O-CG2 3.35Å; H39-V51 PolarHBondContact O-N 3.43Å; A41-V51 HydrophobicContact CB-CG1 3.85Å; A41-V51 HydrophobicContact CB-CG2 4.11Å; F49-V51 HydrophobicContact CD2-CG1 3.63Å; F49-V51 HydrophobicContact CE2-CG1 3.25Å; F49-V51 HydrophobicContact CZ-CG1 4.31Å; V51-A82 CarbonylContact C-O 3.56Å; V51-A82 VanDerWaalsContact CA-O 3.23Å; V51-A82 WeakPolarHBondContact CA-O 3.34Å; V51-A82 HydrophobicContact CG1-CB 4.14Å; V51-I84 HydrophobicContact CB-CG1 4.08Å; V51-I84 HydrophobicContact CG2-CD1 3.76Å; V51-I84 HydrophobicContact CG2-CG1 3.76Å |
| 52 | S | 95.6 | Very high | 93.4 | Very high | 22 Ų | 22 | 62.6 Ų | 62.6 | 15% | 0.154 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 140.7 | 172.7 | 179.5 | 0 | 0 | 0 | 0 | 110.6 | A82 E83 I84 | S52-A82 PolarHBondContact N-O 3.36Å; S52-E83 WeakPolarHBondContact O-CA 3.28Å; S52-I84 PolarHBondContact O-N 3.03Å |
| 53 | M | 94.7 | Very high | 93.3 | Very high | 5 Ų | 5 | 61.7 Ų | 61.7 | 3% | 0.025 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -90.4 | 126 | 172 | -172.6 | 63.9 | 149 | 0 | 0 | 110.6 | N37 Y57 R58 I61 I63 I84 V87 | N37-M53 HydrophobicContact CB-CB 4.2Å; N37-M53 WeakPolarHBondContact O-CB 3.34Å; N37-M53 PolarHBondContact O-N 3.41Å; M53-Y57 HydrophobicContact CE-CD2 4Å; M53-Y57 HydrophobicContact CE-CG 4.07Å; M53-Y57 HydrophobicContact SD-CD2 3.81Å; M53-Y57 HydrophobicContact SD-CG 4.29Å; M53-R58 PolarHBondContact O-NE 2.95Å; M53-R58 PolarHBondContact O-NH2 3.09Å; M53-I61 HydrophobicContact CE-CB 4.1Å; M53-I61 HydrophobicContact CE-CG2 4.14Å; M53-I63 HydrophobicContact CE-CD1 3.45Å; M53-I63 VanDerWaalsContact CE-CD1 3.45Å; M53-I63 HydrophobicContact CE-CG1 3.86Å; M53-I63 HydrophobicContact SD-CD1 3.67Å; M53-I84 HydrophobicContact SD-CB 4.32Å; M53-I84 HydrophobicContact SD-CD1 3.75Å; M53-I84 HydrophobicContact SD-CG2 4.35Å; M53-V87 HydrophobicContact CE-CG2 4.43Å |
| 54 | P | 94.8 | Very high | 93.2 | Very high | 12 Ų | 12 | 68.6 Ų | 68.6 | 8% | 0.078 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -55.8 | 148 | 176.8 | -25.6 | 29.3 | 0 | 0 | 0 | 113 | K56 Y57 R58 E83 I84 | P54-K56 HydrophobicContact CB-CG 3.85Å; P54-K56 PolarHBondContact O-N 3.39Å; P54-K56 VanDerWaalsContact O-N 3.15Å; P54-Y57 HydrophobicContact CB-CD2 4.32Å; P54-Y57 HydrophobicContact CG-CD2 3.97Å; P54-Y57 HydrophobicContact CG-CE2 4.31Å; P54-Y57 PolarHBondContact O-N 2.9Å; P54-R58 WeakPolarHBondContact O-CG 3.43Å; P54-R58 PolarHBondContact O-N 2.91Å; P54-E83 WeakPolarHBondContact CA-OE1 3.23Å; P54-E83 HydrophobicContact CG-CG 3.98Å; P54-I84 WeakPolarHBondContact CD-O 3.18Å; P54-I84 WeakPolarHBondContact CG-O 3.39Å |
| 55 | T | 93 | Very high | 93.2 | Very high | 94 Ų | 94 | 73 Ų | 73 | 58% | 0.577 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -29.5 | 178.7 | 57.6 | 0 | 0 | 0 | 0 | 113.4 | Y57 | T55-Y57 VanDerWaalsContact C-N 3.25Å; T55-Y57 PolarHBondContact O-N 3.36Å |
| 56 | K | 91.2 | Very high | 93.3 | Very high | 56 Ų | 56 | 70.6 Ų | 70.6 | 24% | 0.243 | 33% | 0.329 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -33.4 | 174.8 | 57.6 | 170.3 | -177.7 | 174.5 | 0 | 112.4 | E13 P54 H60 | E13-K56 IonicContact OE1-NZ 3.66Å; E13-K56 PolarHBondContact OE1-NZ 2.94Å; E13-K56 IonicContact OE2-NZ 2.7Å; P54-K56 HydrophobicContact CB-CG 3.85Å; P54-K56 PolarHBondContact O-N 3.39Å; P54-K56 VanDerWaalsContact O-N 3.15Å; K56-H60 PolarHBondContact O-ND1 2.96Å |
| 57 | Y | 93.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.6 | -22.7 | -174.9 | -62.1 | -24.6 | 0 | 0 | 0 | 114 | V10 I14 M53 P54 T55 K59 H60 I61 I84 Y85 | V10-Y57 HydrophobicContact CG1-CD1 3.68Å; V10-Y57 HydrophobicContact CG1-CE1 4.01Å; I14-Y57 HydrophobicContact CD1-CD1 4.43Å; I14-Y57 HydrophobicContact CD1-CE1 3.95Å; I14-Y57 HydrophobicContact CG1-CE1 4.27Å; M53-Y57 HydrophobicContact CE-CD2 4Å; M53-Y57 HydrophobicContact CE-CG 4.07Å; M53-Y57 HydrophobicContact SD-CD2 3.81Å; M53-Y57 HydrophobicContact SD-CG 4.29Å; P54-Y57 HydrophobicContact CB-CD2 4.32Å; P54-Y57 HydrophobicContact CG-CD2 3.97Å; P54-Y57 HydrophobicContact CG-CE2 4.31Å; P54-Y57 PolarHBondContact O-N 2.9Å; T55-Y57 VanDerWaalsContact C-N 3.25Å; T55-Y57 PolarHBondContact O-N 3.36Å; Y57-K59 PolarHBondContact O-N 2.87Å; Y57-H60 PolarHBondContact O-N 3.25Å; Y57-I61 HydrophobicContact CD1-CD1 3.06Å; Y57-I61 HydrophobicContact CD2-CD1 4.24Å; Y57-I61 HydrophobicContact CE1-CD1 3.69Å; Y57-I61 HydrophobicContact CG-CD1 3.37Å; Y57-I61 PolarHBondContact O-N 2.99Å; Y57-I61 VanDerWaalsContact O-N 3.11Å; Y57-I84 HydrophobicContact CE2-CG2 4.48Å; Y57-Y85 WeakPolarHBondContact CE2-O 3.43Å; Y57-Y85 PolarHBondContact OH-O 2.73Å |
| 58 | R | 92.3 | Very high | 93.4 | Very high | 87 Ų | 87 | 66.3 Ų | 66.3 | 33% | 0.328 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | 129.8 | 176.5 | -62.2 | 179.6 | -164.7 | 171.9 | 3.4 | 110.1 | N37 M53 P54 H60 | N37-R58 HydrophobicContact CB-CG 4.25Å; N37-R58 WeakPolarHBondContact OD1-CG 3.37Å; M53-R58 PolarHBondContact O-NE 2.95Å; M53-R58 PolarHBondContact O-NH2 3.09Å; P54-R58 WeakPolarHBondContact O-CG 3.43Å; P54-R58 PolarHBondContact O-N 2.91Å; R58-H60 PolarHBondContact O-N 3.14Å; R58-H60 PolarHBondContact O-ND1 2.8Å |
| 59 | K | 88.3 | Confident | 93.4 | Very high | 189 Ų | 189 | 58.8 Ų | 58.8 | 82% | 0.822 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | -6.2 | -177 | -47.4 | -179.6 | 179.3 | -173.8 | 0 | 116.6 | Y57 | Y57-K59 PolarHBondContact O-N 2.87Š|
| 60 | H | 90.1 | Very high | 93.5 | Very high | 20 Ų | 20 | 58 Ų | 58 | 9% | 0.093 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -29 | -179.2 | -52.2 | 116.5 | 0 | 0 | 0 | 113 | V10 K56 Y57 R58 | V10-H60 HydrophobicContact CG1-CB 4.09Å; K56-H60 PolarHBondContact O-ND1 2.96Å; Y57-H60 PolarHBondContact O-N 3.25Å; R58-H60 PolarHBondContact O-N 3.14Å; R58-H60 PolarHBondContact O-ND1 2.8Å |
| 61 | I | 91.7 | Very high | 93.5 | Very high | 31 Ų | 31 | 56.2 Ų | 56.2 | 16% | 0.159 | 26% | 0.258 | C | S | . | . | trans | -127.5 | 136.9 | -177.6 | -62.9 | 137.9 | 0 | 0 | 0 | 110.3 | V10 I14 M53 Y57 I63 V87 | V10-I61 HydrophobicContact CG1-CD1 3.33Å; V10-I61 HydrophobicContact CG1-CG1 4.05Å; I14-I61 HydrophobicContact CD1-CD1 3.11Å; I14-I61 HydrophobicContact CD1-CG1 3.58Å; I14-I61 HydrophobicContact CD1-CG2 4.48Å; I14-I61 HydrophobicContact CG1-CD1 4.46Å; M53-I61 HydrophobicContact CE-CB 4.1Å; M53-I61 HydrophobicContact CE-CG2 4.14Å; Y57-I61 HydrophobicContact CD1-CD1 3.06Å; Y57-I61 HydrophobicContact CD2-CD1 4.24Å; Y57-I61 HydrophobicContact CE1-CD1 3.69Å; Y57-I61 HydrophobicContact CG-CD1 3.37Å; Y57-I61 PolarHBondContact O-N 2.99Å; Y57-I61 VanDerWaalsContact O-N 3.11Å; I61-I63 HydrophobicContact CG2-CG1 4.43Å; I61-V87 HydrophobicContact CG2-CG2 4.15Å | ||
| 62 | W | 91.1 | Very high | 93.4 | Very high | 185 Ų | 185 | 60.1 Ų | 60.1 | 70% | 0.701 | 28% | 0.276 | S | S | * | . | trans | -108.2 | 122.8 | 173.3 | -71.7 | -94.1 | 0 | 0 | 0 | 110.7 | ||||
| 63 | I | 93.6 | Very high | 93.4 | Very high | 16 Ų | 16 | 61.6 Ų | 61.6 | 8% | 0.082 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -98.2 | 122.4 | 175.9 | -59.3 | 175.8 | 0 | 0 | 0 | 108.9 | V30 M53 I61 M67 V69 I84 V87 | V30-I63 HydrophobicContact CB-CG2 4.03Å; V30-I63 HydrophobicContact CG1-CG2 3.87Å; V30-I63 HydrophobicContact CG2-CG2 3.82Å; M53-I63 HydrophobicContact CE-CD1 3.45Å; M53-I63 VanDerWaalsContact CE-CD1 3.45Å; M53-I63 HydrophobicContact CE-CG1 3.86Å; M53-I63 HydrophobicContact SD-CD1 3.67Å; I61-I63 HydrophobicContact CG2-CG1 4.43Å; I63-M67 HydrophobicContact CG2-CB 4.2Å; I63-M67 HydrophobicContact CG2-SD 4.29Å; I63-V69 HydrophobicContact CD1-CG1 4.23Å; I63-I84 HydrophobicContact CD1-CD1 3.56Å; I63-V87 HydrophobicContact CD1-CG2 3.89Å; I63-V87 HydrophobicContact CG1-CG2 4.06Å |
| 64 | K | 92.4 | Very high | 93.4 | Very high | 159 Ų | 159 | 64.4 Ų | 64.4 | 69% | 0.691 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -95.4 | 162.8 | 175.5 | -63.9 | -177 | 178.9 | 179.8 | 0 | 110.9 | M67 | K64-M67 HydrophobicContact CB-CG 4.3Å; K64-M67 HydrophobicContact CB-SD 4.1Å; K64-M67 PolarHBondContact N-SD 3.27Å; K64-M67 WeakPolarHBondContact O-CB 3.49Å; K64-M67 WeakPolarHBondContact O-CG 3.46Å; K64-M67 PolarHBondContact O-N 3.33Å |
| 65 | R | 94.2 | Very high | 93.1 | Very high | 204 Ų | 204 | 69 Ų | 69 | 77% | 0.77 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | 136.5 | 170.8 | 172.1 | 171.4 | -176.9 | -165.8 | -0.5 | 110.2 | T31 | T31-R65 WeakPolarHBondContact O-CB 3.44Å; T31-R65 WeakPolarHBondContact O-CD 3.39Å; T31-R65 WeakPolarHBondContact O-CG 3.23Å |
| 66 | G | 93 | Very high | 93 | Very high | 41 Ų | 41 | 73.6 Ų | 73.6 | 42% | 0.423 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.3 | -1.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | V30 | V30-G66 PolarHBondContact O-N 2.76Š|
| 67 | M | 94 | Very high | 92.5 | Very high | 44 Ų | 44 | 72.1 Ų | 72.1 | 22% | 0.217 | 36% | 0.355 | C | S | . | . | trans | -74.5 | 152.6 | 172.1 | -67.3 | -173.2 | 72.5 | 0 | 0 | 111.3 | V30 I63 K64 V87 L89 | V30-M67 PolarHBondContact N-O 3.04Å; I63-M67 HydrophobicContact CG2-CB 4.2Å; I63-M67 HydrophobicContact CG2-SD 4.29Å; K64-M67 HydrophobicContact CB-CG 4.3Å; K64-M67 HydrophobicContact CB-SD 4.1Å; K64-M67 PolarHBondContact N-SD 3.27Å; K64-M67 WeakPolarHBondContact O-CB 3.49Å; K64-M67 WeakPolarHBondContact O-CG 3.46Å; K64-M67 PolarHBondContact O-N 3.33Å; M67-V87 HydrophobicContact CE-CG1 3.54Å; M67-L89 HydrophobicContact CE-CD2 4.29Å | ||
| 68 | Y | 95.3 | Very high | 92.2 | Very high | 15 Ų | 15 | 79.5 Ų | 79.5 | 6% | 0.059 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 142.3 | 174.7 | -61.2 | -80.2 | 0 | 0 | 0 | 110.3 | A28 R29 L88 I93 W102 F106 P107 P109 | A28-Y68 WeakPolarHBondContact O-CA 3.47Å; R29-Y68 HydrophobicContact CB-CD1 4.04Å; R29-Y68 HydrophobicContact CB-CE1 3.9Å; R29-Y68 HydrophobicContact CG-CD1 4.28Å; R29-Y68 HydrophobicContact CG-CE1 3.93Å; Y68-L88 WeakPolarHBondContact O-CB 3.08Å; Y68-L88 PolarHBondContact O-N 2.96Å; Y68-I93 HydrophobicContact CD2-CD1 3.77Å; Y68-I93 HydrophobicContact CG-CD1 4.47Å; Y68-W102 AromaticContact CD1-CH2 3.84Å; Y68-W102 HydrophobicContact CD1-CH2 3.84Å; Y68-W102 HydrophobicContact CD1-CZ2 4.06Å; Y68-W102 AromaticContact CD2-CH2 3.89Å; Y68-W102 HydrophobicContact CD2-CH2 3.89Å; Y68-W102 HydrophobicContact CD2-CZ2 4.25Å; Y68-W102 HydrophobicContact CE1-CH2 4.3Å; Y68-W102 HydrophobicContact CE1-CZ2 4.05Å; Y68-W102 HydrophobicContact CE2-CH2 4.35Å; Y68-W102 HydrophobicContact CE2-CZ2 4.25Å; Y68-W102 AromaticContact CG-CH2 3.62Å; Y68-W102 HydrophobicContact CG-CH2 3.62Å; Y68-W102 HydrophobicContact CG-CZ2 4.16Å; Y68-F106 HydrophobicContact CD1-CD2 4.22Å; Y68-F106 HydrophobicContact CD1-CG 4.29Å; Y68-F106 HydrophobicContact CE1-CB 3.65Å; Y68-F106 HydrophobicContact CE1-CD1 4.03Å; Y68-F106 HydrophobicContact CE1-CD2 4.04Å; Y68-F106 AromaticContact CE1-CG 3.65Å; Y68-F106 HydrophobicContact CE1-CG 3.65Å; Y68-P107 PolarHBondContact OH-O 3.31Å; Y68-P109 HydrophobicContact CE2-CG 4.29Å |
| 69 | V | 95.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 83.4 Ų | 83.4 | 0% | 0 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 143.2 | 180 | -69 | 0 | 0 | 0 | 0 | 109.4 | A28 V30 I63 C71 I84 V87 | A28-V69 HydrophobicContact CB-CG2 4.25Å; A28-V69 PolarHBondContact N-O 3.02Å; A28-V69 WeakPolarHBondContact O-CG2 3.49Å; A28-V69 PolarHBondContact O-N 3.1Å; V30-V69 HydrophobicContact CG2-CG1 3.87Å; V30-V69 HydrophobicContact CG2-CG2 3.77Å; I63-V69 HydrophobicContact CD1-CG1 4.23Å; V69-C71 VanDerWaalsContact CG2-SG 3.54Å; V69-I84 HydrophobicContact CB-CG1 4.4Å; V69-I84 HydrophobicContact CB-CG2 4.14Å; V69-I84 HydrophobicContact CG1-CD1 4.38Å; V69-I84 HydrophobicContact CG1-CG2 4.17Å; V69-I84 HydrophobicContact CG2-CG1 4.44Å; V69-V87 HydrophobicContact CG1-CG2 4.38Å |
| 70 | L | 95.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 123.1 | 167.5 | -179.2 | 60.3 | 0 | 0 | 0 | 107.5 | V19 P21 M25 I27 I84 Y85 R86 L88 | V19-L70 HydrophobicContact CG1-CD2 4.18Å; P21-L70 HydrophobicContact CB-CD1 3.81Å; M25-L70 HydrophobicContact CB-CD1 3.92Å; M25-L70 HydrophobicContact CB-CG 4.42Å; M25-L70 HydrophobicContact SD-CD2 4.34Å; I27-L70 HydrophobicContact CG1-CD1 4.26Å; L70-I84 CarbonylContact O-C 3.51Å; L70-Y85 HydrophobicContact CD2-CD1 3.92Å; L70-Y85 HydrophobicContact CG-CD1 4.44Å; L70-Y85 WeakPolarHBondContact O-CA 3.35Å; L70-Y85 WeakPolarHBondContact O-CB 3.04Å; L70-Y85 PolarHBondContact O-N 3.25Å; L70-R86 HydrophobicContact CB-CB 4.43Å; L70-R86 PolarHBondContact N-O 2.85Å; L70-R86 PolarHBondContact O-N 3.2Å; L70-L88 HydrophobicContact CB-CD2 4.28Å; L70-L88 HydrophobicContact CB-CG 4.5Å |
| 71 | C | 96.1 | Very high | 92.6 | Very high | 0 Ų | 0 | 79.5 Ų | 79.5 | 0% | 0 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 144.5 | -173.6 | -67.1 | 0 | 0 | 0 | 0 | 111.1 | M25 F26 V69 A82 E83 | M25-C71 CarbonylContact C-O 3.56Å; M25-C71 WeakPolarHBondContact CA-O 2.74Å; M25-C71 WeakPolarHBondContact CB-O 3.49Å; F26-C71 HydrophobicContact CE1-CB 4.18Å; F26-C71 HydrophobicContact CE2-CB 4.13Å; F26-C71 HydrophobicContact CZ-CB 3.92Å; F26-C71 PolarHBondContact N-O 3.28Å; F26-C71 PolarHBondContact O-N 3.44Å; V69-C71 VanDerWaalsContact CG2-SG 3.54Å; C71-A82 HydrophobicContact CB-CB 4.03Å; C71-E83 CarbonylContact C-O 3.58Å; C71-E83 VanDerWaalsContact CA-O 3.28Å; C71-E83 WeakPolarHBondContact CA-O 3.21Å |
| 72 | E | 95.3 | Very high | 92.8 | Very high | 82 Ų | 82 | 78 Ų | 78 | 38% | 0.383 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 125.3 | 169.7 | -172.8 | 170.5 | -172.2 | 0 | 0 | 109.2 | M25 A82 E83 | M25-E72 HydrophobicContact CG-CB 4.31Å; M25-E72 HydrophobicContact CG-CG 4.43Å; E72-A82 CarbonylContact O-C 3.59Å; E72-A82 WeakPolarHBondContact O-CA 3.49Å; E72-A82 VanDerWaalsContact O-CB 3.28Å; E72-A82 WeakPolarHBondContact O-CB 3.47Å; E72-E83 PolarHBondContact N-O 2.86Å; E72-E83 PolarHBondContact O-N 3.26Å |
| 73 | P | 95.3 | Very high | 93 | Very high | 54 Ų | 54 | 72.8 Ų | 72.8 | 35% | 0.351 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 142.9 | -177.9 | 26.7 | -32.8 | 0 | 0 | 0 | 112.1 | P24 F26 | P24-P73 HydrophobicContact CB-CG 3.82Å; P24-P73 HydrophobicContact CG-CG 4.12Å; P24-P73 WeakPolarHBondContact O-CD 3.43Å; P24-P73 WeakPolarHBondContact O-CG 3.29Å; F26-P73 HydrophobicContact CE1-CB 4.07Å; F26-P73 HydrophobicContact CE1-CG 4.4Å |
| 74 | I | 94.5 | Very high | 93.1 | Very high | 63 Ų | 63 | 72 Ų | 72 | 32% | 0.323 | 37% | 0.372 | S | S | . | . | trans | -107.9 | 109.7 | 174.5 | -56.8 | 168.6 | 0 | 0 | 0 | 107.8 | E76 G77 V80 K81 E83 | I74-E76 VanDerWaalsContact C-N 3.27Å; I74-E76 PolarHBondContact O-N 3.04Å; I74-G77 PolarHBondContact O-N 3.11Å; I74-V80 HydrophobicContact CD1-CG1 4.47Å; I74-K81 PolarHBondContact N-O 3.3Å; I74-E83 HydrophobicContact CD1-CB 4.15Å | ||
| 75 | A | 89.6 | Confident | 93.2 | Very high | 110 Ų | 110 | 68 Ų | 68 | 91% | 0.909 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -31.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | G77 | A75-G77 VanDerWaalsContact C-N 3.28Å; A75-G77 PolarHBondContact O-N 3.34Å |
| 76 | E | 89.7 | Confident | 93.2 | Very high | 189 Ų | 189 | 60 Ų | 60 | 88% | 0.883 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.8 | -7.2 | -178.3 | -59.3 | 178.4 | 177.8 | 0 | 0 | 113.2 | I74 N78 | I74-E76 VanDerWaalsContact C-N 3.27Å; I74-E76 PolarHBondContact O-N 3.04Å; E76-N78 PolarHBondContact O-N 3.41Å |
| 77 | G | 82.1 | Confident | 93.3 | Very high | 26 Ų | 26 | 58.1 Ų | 58.1 | 27% | 0.268 | 30% | 0.303 | S | S | . | . | trans | -75.6 | 110.7 | -167.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I74 A75 V80 | I74-G77 PolarHBondContact O-N 3.11Å; A75-G77 VanDerWaalsContact C-N 3.28Å; A75-G77 PolarHBondContact O-N 3.34Å; G77-V80 CarbonylContact C-O 3.58Å; G77-V80 WeakPolarHBondContact CA-O 3.28Å | ||
| 78 | N | 86.6 | Confident | 93.3 | Very high | 154 Ų | 154 | 56.3 Ų | 56.3 | 82% | 0.824 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -77.2 | -62.7 | 175.3 | -163.1 | -17.8 | 0 | 0 | 0 | 111.5 | E76 | E76-N78 PolarHBondContact O-N 3.41Š|
| 79 | K | 90.2 | Very high | 93.2 | Very high | 170 Ų | 170 | 58.2 Ų | 58.2 | 74% | 0.739 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -88.5 | -39.6 | 177 | -67.7 | -176.9 | -180 | 178.5 | 0 | 112.9 | L50 | L50-K79 WeakPolarHBondContact CB-O 3.31Å; L50-K79 HydrophobicContact CD1-CB 4.38Å |
| 80 | V | 94.4 | Very high | 93 | Very high | 35 Ų | 35 | 61 Ų | 61 | 21% | 0.212 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 107.5 | -179.3 | -178.2 | 0 | 0 | 0 | 0 | 107.5 | L38 L50 I74 G77 | L38-V80 HydrophobicContact CD1-CG2 4.15Å; L38-V80 HydrophobicContact CD2-CG1 4.38Å; L38-V80 HydrophobicContact CD2-CG2 3.81Å; L50-V80 HydrophobicContact CB-CG2 4.09Å; L50-V80 CarbonylContact O-C 3.49Å; L50-V80 WeakPolarHBondContact O-CA 3.5Å; I74-V80 HydrophobicContact CD1-CG1 4.47Å; G77-V80 CarbonylContact C-O 3.58Å; G77-V80 WeakPolarHBondContact CA-O 3.28Å |
| 81 | K | 94.4 | Very high | 92.7 | Very high | 92 Ų | 92 | 62.7 Ų | 62.7 | 40% | 0.4 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | -16 | -171.2 | -64.8 | -168.3 | -177.2 | 179 | 0 | 113.7 | E47 F49 L50 I74 | E47-K81 IonicContact OE2-NZ 4Å; F49-K81 HydrophobicContact CB-CB 4.08Å; F49-K81 HydrophobicContact CB-CD 3.78Å; F49-K81 HydrophobicContact CB-CG 3.97Å; F49-K81 HydrophobicContact CD2-CB 4.11Å; F49-K81 HydrophobicContact CG-CB 4.29Å; F49-K81 HydrophobicContact CG-CD 4.39Å; L50-K81 PolarHBondContact O-N 2.85Å; I74-K81 PolarHBondContact N-O 3.3Å |
| 82 | A | 96.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 161.6 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | F26 F49 V51 S52 C71 E72 | F26-A82 HydrophobicContact CE1-CB 4.23Å; F26-A82 HydrophobicContact CZ-CB 3.93Å; F49-A82 HydrophobicContact CE2-CB 4.19Å; V51-A82 CarbonylContact C-O 3.56Å; V51-A82 VanDerWaalsContact CA-O 3.23Å; V51-A82 WeakPolarHBondContact CA-O 3.34Å; V51-A82 HydrophobicContact CG1-CB 4.14Å; S52-A82 PolarHBondContact N-O 3.36Å; C71-A82 HydrophobicContact CB-CB 4.03Å; E72-A82 CarbonylContact O-C 3.59Å; E72-A82 WeakPolarHBondContact O-CA 3.49Å; E72-A82 VanDerWaalsContact O-CB 3.28Å; E72-A82 WeakPolarHBondContact O-CB 3.47Å |
| 83 | E | 95.5 | Very high | 92.4 | Very high | 75 Ų | 75 | 59.1 Ų | 59.1 | 35% | 0.35 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 140.1 | 169.7 | -175 | 166.1 | -166.8 | 0 | 0 | 109.7 | S52 P54 C71 E72 I74 Y85 | S52-E83 WeakPolarHBondContact O-CA 3.28Å; P54-E83 WeakPolarHBondContact CA-OE1 3.23Å; P54-E83 HydrophobicContact CG-CG 3.98Å; C71-E83 CarbonylContact C-O 3.58Å; C71-E83 VanDerWaalsContact CA-O 3.28Å; C71-E83 WeakPolarHBondContact CA-O 3.21Å; E72-E83 PolarHBondContact N-O 2.86Å; E72-E83 PolarHBondContact O-N 3.26Å; I74-E83 HydrophobicContact CD1-CB 4.15Å; E83-Y85 PolarHBondContact O-N 3.23Å |
| 84 | I | 95.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 61.6 Ų | 61.6 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 113.6 | 176.2 | -64.7 | 166.9 | 0 | 0 | 0 | 108.2 | V51 S52 M53 P54 Y57 I63 V69 L70 V87 | V51-I84 HydrophobicContact CB-CG1 4.08Å; V51-I84 HydrophobicContact CG2-CD1 3.76Å; V51-I84 HydrophobicContact CG2-CG1 3.76Å; S52-I84 PolarHBondContact O-N 3.03Å; M53-I84 HydrophobicContact SD-CB 4.32Å; M53-I84 HydrophobicContact SD-CD1 3.75Å; M53-I84 HydrophobicContact SD-CG2 4.35Å; P54-I84 WeakPolarHBondContact CD-O 3.18Å; P54-I84 WeakPolarHBondContact CG-O 3.39Å; Y57-I84 HydrophobicContact CE2-CG2 4.48Å; I63-I84 HydrophobicContact CD1-CD1 3.56Å; V69-I84 HydrophobicContact CB-CG1 4.4Å; V69-I84 HydrophobicContact CB-CG2 4.14Å; V69-I84 HydrophobicContact CG1-CD1 4.38Å; V69-I84 HydrophobicContact CG1-CG2 4.17Å; V69-I84 HydrophobicContact CG2-CG1 4.44Å; L70-I84 CarbonylContact O-C 3.51Å; I84-V87 HydrophobicContact CG2-CG2 4.31Å |
| 85 | Y | 94.5 | Very high | 92.1 | Very high | 75 Ų | 75 | 62.5 Ų | 62.5 | 29% | 0.294 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | -49.8 | 173.7 | -175.5 | -111.1 | 0 | 0 | 0 | 110.9 | V19 M25 Y57 L70 E83 | V19-Y85 HydrophobicContact CG1-CE1 4.2Å; M25-Y85 HydrophobicContact CE-CD1 4.06Å; M25-Y85 HydrophobicContact CE-CD2 3.75Å; M25-Y85 HydrophobicContact CE-CE1 4.1Å; M25-Y85 HydrophobicContact CE-CE2 3.85Å; M25-Y85 HydrophobicContact CE-CG 3.89Å; M25-Y85 HydrophobicContact SD-CD1 3.9Å; M25-Y85 HydrophobicContact SD-CE1 4.2Å; M25-Y85 HydrophobicContact SD-CG 4.11Å; Y57-Y85 WeakPolarHBondContact CE2-O 3.43Å; Y57-Y85 PolarHBondContact OH-O 2.73Å; L70-Y85 HydrophobicContact CD2-CD1 3.92Å; L70-Y85 HydrophobicContact CG-CD1 4.44Å; L70-Y85 WeakPolarHBondContact O-CA 3.35Å; L70-Y85 WeakPolarHBondContact O-CB 3.04Å; L70-Y85 PolarHBondContact O-N 3.25Å; E83-Y85 PolarHBondContact O-N 3.23Å |
| 86 | R | 93.7 | Very high | 92.3 | Very high | 34 Ų | 34 | 57.3 Ų | 57.3 | 13% | 0.128 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 146.6 | -177.8 | -72.3 | 166.4 | -166.3 | -114.9 | 2.2 | 111.7 | E13 D17 L70 | E13-R86 IonicContact OE1-CZ 3.98Å; D17-R86 IonicContact OD2-NH1 2.73Å; L70-R86 HydrophobicContact CB-CB 4.43Å; L70-R86 PolarHBondContact N-O 2.85Å; L70-R86 PolarHBondContact O-N 3.2Å |
| 87 | V | 94.2 | Very high | 92.4 | Very high | 2 Ų | 2 | 53.2 Ų | 53.2 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 129.4 | 171.5 | -177.4 | 0 | 0 | 0 | 0 | 108.7 | M53 I61 I63 M67 V69 I84 | M53-V87 HydrophobicContact CE-CG2 4.43Å; I61-V87 HydrophobicContact CG2-CG2 4.15Å; I63-V87 HydrophobicContact CD1-CG2 3.89Å; I63-V87 HydrophobicContact CG1-CG2 4.06Å; M67-V87 HydrophobicContact CE-CG1 3.54Å; V69-V87 HydrophobicContact CG1-CG2 4.38Å; I84-V87 HydrophobicContact CG2-CG2 4.31Å |
| 88 | L | 93.9 | Very high | 92.9 | Very high | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.031 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 114.5 | -176.2 | -57.6 | 177.6 | 0 | 0 | 0 | 110 | I27 Y68 L70 N92 I93 I96 W102 | I27-L88 HydrophobicContact CD1-CD1 4.46Å; I27-L88 HydrophobicContact CG1-CD1 4.27Å; I27-L88 HydrophobicContact CG2-CD1 4.11Å; Y68-L88 WeakPolarHBondContact O-CB 3.08Å; Y68-L88 PolarHBondContact O-N 2.96Å; L70-L88 HydrophobicContact CB-CD2 4.28Å; L70-L88 HydrophobicContact CB-CG 4.5Å; L88-N92 HydrophobicContact CD2-CB 4.13Å; L88-I93 HydrophobicContact CB-CD1 4.42Å; L88-I93 HydrophobicContact CB-CG1 3.9Å; L88-I96 HydrophobicContact CD1-CD1 4.03Å; L88-I96 HydrophobicContact CD2-CD1 3.75Å; L88-W102 HydrophobicContact CD1-CZ3 4.17Å |
| 89 | L | 93.1 | Very high | 93.2 | Very high | 56 Ų | 56 | 55.5 Ų | 55.5 | 29% | 0.293 | 26% | 0.26 | S | S | . | . | trans | -89.8 | 170.5 | 169.8 | -60.7 | -176.7 | 0 | 0 | 0 | 110.8 | I14 L15 M67 G91 N92 I93 | I14-L89 HydrophobicContact CG2-CD1 3.57Å; I14-L89 HydrophobicContact CG2-CG 3.78Å; L15-L89 HydrophobicContact CD2-CD1 3.59Å; L15-L89 HydrophobicContact CG-CD1 4.4Å; M67-L89 HydrophobicContact CE-CD2 4.29Å; L89-G91 PolarHBondContact O-N 2.85Å; L89-G91 VanDerWaalsContact O-N 3.14Å; L89-N92 PolarHBondContact O-N 2.93Å; L89-I93 WeakPolarHBondContact O-CG1 3.36Å; L89-I93 PolarHBondContact O-N 2.87Å | ||
| 90 | D | 91.7 | Very high | 93.2 | Very high | 58 Ų | 58 | 50.4 Ų | 50.4 | 31% | 0.31 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -54 | -37.1 | -176 | -64.7 | -29 | 0 | 0 | 0 | 113.2 | R94 R111 A112 | D90-R94 WeakPolarHBondContact O-CG 3.07Å; D90-R94 PolarHBondContact O-N 2.81Å; D90-R94 VanDerWaalsContact O-N 3.11Å; D90-R111 HydrophobicContact CB-CB 4.47Å; D90-R111 WeakPolarHBondContact OD2-CB 3.21Å; D90-R111 WeakPolarHBondContact OD2-CD 3.35Å; D90-A112 HydrophobicContact CB-CB 4.33Å |
| 91 | G | 90.9 | Very high | 93.1 | Very high | 35 Ų | 35 | 52.7 Ų | 52.7 | 36% | 0.361 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -66.1 | -45.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L89 I93 R94 Y95 | L89-G91 PolarHBondContact O-N 2.85Å; L89-G91 VanDerWaalsContact O-N 3.14Å; G91-I93 VanDerWaalsContact C-N 3.34Å; G91-I93 PolarHBondContact O-N 3.06Å; G91-R94 WeakPolarHBondContact O-CB 3.11Å; G91-R94 PolarHBondContact O-N 3.43Å; G91-Y95 PolarHBondContact O-N 2.95Å |
| 92 | N | 91.4 | Very high | 93 | Very high | 5 Ų | 5 | 49.5 Ų | 49.5 | 3% | 0.027 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.9 | -39.1 | 177.3 | -55.1 | 57.3 | 0 | 0 | 0 | 111.3 | D17 F18 L88 L89 R94 Y95 I96 | D17-N92 PolarHBondContact O-ND2 3.12Å; F18-N92 HydrophobicContact CD1-CB 4.05Å; F18-N92 VanDerWaalsContact CD1-CG 3.49Å; F18-N92 WeakPolarHBondContact CE1-OD1 3.41Å; L88-N92 HydrophobicContact CD2-CB 4.13Å; L89-N92 PolarHBondContact O-N 2.93Å; N92-R94 VanDerWaalsContact C-N 3.34Å; N92-Y95 PolarHBondContact O-N 2.82Å; N92-I96 VanDerWaalsContact O-CG1 3.29Å; N92-I96 WeakPolarHBondContact O-CG1 3.33Å; N92-I96 PolarHBondContact O-N 3.32Å |
| 93 | I | 92.7 | Very high | 92.7 | Very high | 3 Ų | 3 | 50.4 Ų | 50.4 | 2% | 0.015 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.9 | -44.2 | 177.7 | -66 | 170.5 | 0 | 0 | 0 | 110.2 | Y68 L88 L89 G91 I96 Y97 W102 P109 A112 | Y68-I93 HydrophobicContact CD2-CD1 3.77Å; Y68-I93 HydrophobicContact CG-CD1 4.47Å; L88-I93 HydrophobicContact CB-CD1 4.42Å; L88-I93 HydrophobicContact CB-CG1 3.9Å; L89-I93 WeakPolarHBondContact O-CG1 3.36Å; L89-I93 PolarHBondContact O-N 2.87Å; G91-I93 VanDerWaalsContact C-N 3.34Å; G91-I93 PolarHBondContact O-N 3.06Å; I93-I96 PolarHBondContact O-N 3.49Å; I93-Y97 VanDerWaalsContact O-CB 3.29Å; I93-Y97 WeakPolarHBondContact O-CB 3.29Å; I93-Y97 PolarHBondContact O-N 3.33Å; I93-W102 HydrophobicContact CB-CH2 4.43Å; I93-W102 HydrophobicContact CB-CZ3 4.21Å; I93-W102 HydrophobicContact CD1-CH2 4.25Å; I93-W102 HydrophobicContact CG1-CH2 3.95Å; I93-W102 HydrophobicContact CG1-CZ3 3.9Å; I93-W102 HydrophobicContact CG2-CD2 4.45Å; I93-W102 HydrophobicContact CG2-CE3 4.09Å; I93-W102 HydrophobicContact CG2-CH2 3.76Å; I93-W102 HydrophobicContact CG2-CZ2 4.15Å; I93-W102 HydrophobicContact CG2-CZ3 3.75Å; I93-P109 HydrophobicContact CD1-CG 3.68Å; I93-P109 HydrophobicContact CG2-CG 4.37Å; I93-A112 HydrophobicContact CB-CB 4.02Å; I93-A112 HydrophobicContact CG2-CB 3.74Å |
| 94 | R | 91.7 | Very high | 92.4 | Very high | 106 Ų | 106 | 52.7 Ų | 52.7 | 40% | 0.4 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.4 | -49.5 | 173.6 | -77.1 | 174.6 | 177.8 | -179.3 | 3.8 | 112 | D90 G91 N92 I96 Y97 D98 R111 A112 | D90-R94 WeakPolarHBondContact O-CG 3.07Å; D90-R94 PolarHBondContact O-N 2.81Å; D90-R94 VanDerWaalsContact O-N 3.11Å; G91-R94 WeakPolarHBondContact O-CB 3.11Å; G91-R94 PolarHBondContact O-N 3.43Å; N92-R94 VanDerWaalsContact C-N 3.34Å; R94-I96 VanDerWaalsContact C-N 3.34Å; R94-I96 PolarHBondContact O-N 2.89Å; R94-Y97 WeakPolarHBondContact O-CB 3.4Å; R94-Y97 PolarHBondContact O-N 3.42Å; R94-Y97 VanDerWaalsContact O-N 3.08Å; R94-D98 VanDerWaalsContact O-CG 3.23Å; R94-D98 PolarHBondContact O-N 2.88Å; R94-R111 PolarHBondContact NH2-O 3.24Å; R94-A112 HydrophobicContact CG-CB 4.1Å; R94-A112 WeakPolarHBondContact CG-O 3.44Å; R94-A112 PolarHBondContact NE-O 3.49Å |
| 95 | Y | 92.8 | Very high | 92.2 | Very high | 82 Ų | 82 | 57.1 Ų | 57.1 | 32% | 0.322 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.8 | -43.8 | 179.5 | -178.8 | -113.6 | 0 | 0 | 0 | 112.8 | F18 L20 G91 N92 Y97 D98 E99 | F18-Y95 HydrophobicContact CB-CD1 3.44Å; F18-Y95 VanDerWaalsContact CB-CD1 3.44Å; F18-Y95 HydrophobicContact CB-CE1 3.86Å; F18-Y95 HydrophobicContact CB-CG 3.92Å; F18-Y95 HydrophobicContact CG-CD1 4.32Å; F18-Y95 HydrophobicContact CG-CG 4.34Å; L20-Y95 HydrophobicContact CD1-CE1 4.45Å; L20-Y95 HydrophobicContact CD2-CD1 3.73Å; L20-Y95 HydrophobicContact CD2-CE1 3.39Å; L20-Y95 HydrophobicContact CG-CE1 3.79Å; G91-Y95 PolarHBondContact O-N 2.95Å; N92-Y95 PolarHBondContact O-N 2.82Å; Y95-Y97 VanDerWaalsContact C-N 3.32Å; Y95-Y97 PolarHBondContact O-N 3.08Å; Y95-D98 PolarHBondContact O-N 3.37Å; Y95-E99 HydrophobicContact CE2-CG 4.14Å; Y95-E99 VanDerWaalsContact O-CG 3.27Å; Y95-E99 WeakPolarHBondContact O-CG 3.45Å; Y95-E99 PolarHBondContact O-N 3.25Å; Y95-E99 PolarHBondContact OH-OE1 3.44Å |
| 96 | I | 93.4 | Very high | 92 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -66.7 | -35.6 | 176.7 | -65.9 | 166.9 | 0 | 0 | 0 | 111.5 | L20 P21 I27 L88 N92 I93 R94 G100 L101 W102 | L20-I96 HydrophobicContact CD2-CG1 4.3Å; P21-I96 HydrophobicContact CG-CG2 4.36Å; I27-I96 HydrophobicContact CD1-CD1 4.47Å; I27-I96 HydrophobicContact CD1-CG2 3.94Å; L88-I96 HydrophobicContact CD1-CD1 4.03Å; L88-I96 HydrophobicContact CD2-CD1 3.75Å; N92-I96 VanDerWaalsContact O-CG1 3.29Å; N92-I96 WeakPolarHBondContact O-CG1 3.33Å; N92-I96 PolarHBondContact O-N 3.32Å; I93-I96 PolarHBondContact O-N 3.49Å; R94-I96 VanDerWaalsContact C-N 3.34Å; R94-I96 PolarHBondContact O-N 2.89Å; I96-G100 PolarHBondContact O-N 3.36Å; I96-L101 HydrophobicContact CG2-CB 4.07Å; I96-L101 PolarHBondContact O-N 3.1Å; I96-L101 VanDerWaalsContact O-N 3.09Å; I96-W102 HydrophobicContact CB-CE3 4.44Å; I96-W102 HydrophobicContact CG2-CB 4.38Å; I96-W102 HydrophobicContact CG2-CE3 4.01Å |
| 97 | Y | 91.8 | Very high | 91.7 | Very high | 103 Ų | 103 | 56.1 Ų | 56.1 | 40% | 0.404 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -67.9 | -45 | 177.5 | -178.9 | -98.8 | 0 | 0 | 0 | 112.2 | I93 R94 Y95 E99 G100 W102 L108 | I93-Y97 VanDerWaalsContact O-CB 3.29Å; I93-Y97 WeakPolarHBondContact O-CB 3.29Å; I93-Y97 PolarHBondContact O-N 3.33Å; R94-Y97 WeakPolarHBondContact O-CB 3.4Å; R94-Y97 PolarHBondContact O-N 3.42Å; R94-Y97 VanDerWaalsContact O-N 3.08Å; Y95-Y97 VanDerWaalsContact C-N 3.32Å; Y95-Y97 PolarHBondContact O-N 3.08Å; Y97-E99 PolarHBondContact O-N 2.98Å; Y97-G100 WeakPolarHBondContact O-CA 3.26Å; Y97-G100 PolarHBondContact O-N 3.17Å; Y97-W102 HydrophobicContact CD2-CB 3.99Å; Y97-W102 HydrophobicContact CD2-CG 4.26Å; Y97-L108 HydrophobicContact CD1-CD2 4.09Å; Y97-L108 HydrophobicContact CD2-CD1 3.75Å; Y97-L108 HydrophobicContact CD2-CD2 3.62Å; Y97-L108 HydrophobicContact CD2-CG 4.1Å; Y97-L108 HydrophobicContact CE1-CD2 4.17Å; Y97-L108 HydrophobicContact CE2-CD1 3.64Å; Y97-L108 HydrophobicContact CE2-CD2 3.73Å; Y97-L108 HydrophobicContact CE2-CG 4.28Å; Y97-L108 HydrophobicContact CG-CD2 3.79Å |
| 98 | D | 91.7 | Very high | 91.3 | Very high | 126 Ų | 126 | 58.2 Ų | 58.2 | 67% | 0.674 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -63.4 | -33.1 | 178.7 | -65.4 | -20.1 | 0 | 0 | 0 | 111.6 | R94 Y95 G100 | R94-D98 VanDerWaalsContact O-CG 3.23Å; R94-D98 PolarHBondContact O-N 2.88Å; Y95-D98 PolarHBondContact O-N 3.37Å; D98-G100 PolarHBondContact O-N 3.35Å |
| 99 | E | 92.7 | Very high | 90.5 | Very high | 102 Ų | 102 | 59.5 Ų | 59.5 | 48% | 0.477 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.1 | -2.6 | 174.3 | -65.6 | -82.3 | 178.6 | 0 | 0 | 113 | L20 Y95 Y97 L101 | L20-E99 HydrophobicContact CD1-CG 4.34Å; L20-E99 HydrophobicContact CD2-CB 4Å; L20-E99 HydrophobicContact CD2-CG 3.85Å; Y95-E99 HydrophobicContact CE2-CG 4.14Å; Y95-E99 VanDerWaalsContact O-CG 3.27Å; Y95-E99 WeakPolarHBondContact O-CG 3.45Å; Y95-E99 PolarHBondContact O-N 3.25Å; Y95-E99 PolarHBondContact OH-OE1 3.44Å; Y97-E99 PolarHBondContact O-N 2.98Å; E99-L101 VanDerWaalsContact C-N 3.31Å; E99-L101 PolarHBondContact O-N 2.95Å |
| 100 | G | 91.2 | Very high | 89.7 | Confident | 63 Ų | 63 | 68.5 Ų | 68.5 | 65% | 0.649 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.1 | 15.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | I96 Y97 D98 | I96-G100 PolarHBondContact O-N 3.36Å; Y97-G100 WeakPolarHBondContact O-CA 3.26Å; Y97-G100 PolarHBondContact O-N 3.17Å; D98-G100 PolarHBondContact O-N 3.35Å |
| 101 | L | 91.8 | Very high | 88.9 | Confident | 84 Ų | 84 | 75 Ų | 75 | 44% | 0.44 | 39% | 0.385 | S | S | . | . | trans | -98.7 | 8.4 | -177.6 | -63.8 | 175.7 | 0 | 0 | 0 | 113.2 | L20 P21 I96 E99 | L20-L101 HydrophobicContact CB-CD1 4.07Å; L20-L101 HydrophobicContact CD1-CD1 4.35Å; L20-L101 HydrophobicContact CD2-CD1 4.31Å; L20-L101 HydrophobicContact CG-CD1 4.47Å; P21-L101 HydrophobicContact CG-CB 3.81Å; P21-L101 HydrophobicContact CG-CD1 4.13Å; I96-L101 HydrophobicContact CG2-CB 4.07Å; I96-L101 PolarHBondContact O-N 3.1Å; I96-L101 VanDerWaalsContact O-N 3.09Å; E99-L101 VanDerWaalsContact C-N 3.31Å; E99-L101 PolarHBondContact O-N 2.95Å | ||
| 102 | W | 92.5 | Very high | 88 | Confident | 25 Ų | 25 | 73.4 Ų | 73.4 | 10% | 0.095 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -82.3 | 127.4 | 178.3 | -171.7 | -96.4 | 0 | 0 | 0 | 111.4 | I27 Y68 L88 I93 I96 Y97 S104 F106 | I27-W102 HydrophobicContact CD1-CE3 3.97Å; I27-W102 HydrophobicContact CD1-CZ3 4.13Å; I27-W102 HydrophobicContact CG2-CH2 4.38Å; I27-W102 HydrophobicContact CG2-CZ3 4.25Å; Y68-W102 AromaticContact CD1-CH2 3.84Å; Y68-W102 HydrophobicContact CD1-CH2 3.84Å; Y68-W102 HydrophobicContact CD1-CZ2 4.06Å; Y68-W102 AromaticContact CD2-CH2 3.89Å; Y68-W102 HydrophobicContact CD2-CH2 3.89Å; Y68-W102 HydrophobicContact CD2-CZ2 4.25Å; Y68-W102 HydrophobicContact CE1-CH2 4.3Å; Y68-W102 HydrophobicContact CE1-CZ2 4.05Å; Y68-W102 HydrophobicContact CE2-CH2 4.35Å; Y68-W102 HydrophobicContact CE2-CZ2 4.25Å; Y68-W102 AromaticContact CG-CH2 3.62Å; Y68-W102 HydrophobicContact CG-CH2 3.62Å; Y68-W102 HydrophobicContact CG-CZ2 4.16Å; L88-W102 HydrophobicContact CD1-CZ3 4.17Å; I93-W102 HydrophobicContact CB-CH2 4.43Å; I93-W102 HydrophobicContact CB-CZ3 4.21Å; I93-W102 HydrophobicContact CD1-CH2 4.25Å; I93-W102 HydrophobicContact CG1-CH2 3.95Å; I93-W102 HydrophobicContact CG1-CZ3 3.9Å; I93-W102 HydrophobicContact CG2-CD2 4.45Å; I93-W102 HydrophobicContact CG2-CE3 4.09Å; I93-W102 HydrophobicContact CG2-CH2 3.76Å; I93-W102 HydrophobicContact CG2-CZ2 4.15Å; I93-W102 HydrophobicContact CG2-CZ3 3.75Å; I96-W102 HydrophobicContact CB-CE3 4.44Å; I96-W102 HydrophobicContact CG2-CB 4.38Å; I96-W102 HydrophobicContact CG2-CE3 4.01Å; Y97-W102 HydrophobicContact CD2-CB 3.99Å; Y97-W102 HydrophobicContact CD2-CG 4.26Å; W102-S104 PolarHBondContact O-N 3.36Å; W102-F106 HydrophobicContact CZ2-CB 3.92Å; W102-F106 PolarHBondContact NE1-O 3.46Å |
| 103 | P | 90.6 | Very high | 86.7 | Confident | 19 Ų | 19 | 74.6 Ų | 74.6 | 12% | 0.123 | 38% | 0.378 | C | S | . | . | trans | -68.5 | 130.5 | 179.7 | 29.1 | -37.1 | 0 | 0 | 0 | 111 | I27 E44 V105 F106 | I27-P103 HydrophobicContact CB-CG 4.39Å; E44-P103 HydrophobicContact CB-CB 4.48Å; P103-V105 PolarHBondContact O-N 3.1Å; P103-V105 VanDerWaalsContact O-N 3.12Å; P103-F106 HydrophobicContact CB-CD2 4.35Å; P103-F106 HydrophobicContact CG-CB 4.48Å; P103-F106 HydrophobicContact CG-CD2 3.35Å; P103-F106 HydrophobicContact CG-CE2 3.85Å; P103-F106 HydrophobicContact CG-CG 4.25Å; P103-F106 PolarHBondContact O-N 3.42Å; P103-F106 VanDerWaalsContact O-N 3.13Å | ||
| 104 | S | 88.6 | Confident | 85.1 | Confident | 123 Ų | 123 | 78.7 Ų | 78.7 | 86% | 0.86 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.3 | -178.3 | 56.9 | 0 | 0 | 0 | 0 | 114.1 | W102 F106 | W102-S104 PolarHBondContact O-N 3.36Å; S104-F106 VanDerWaalsContact C-N 3.26Å; S104-F106 PolarHBondContact O-N 3.25Å |
| 105 | V | 90.8 | Very high | 83.7 | Confident | 92 Ų | 92 | 82 Ų | 82 | 56% | 0.558 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -27.2 | 178.6 | -175.3 | 0 | 0 | 0 | 0 | 111.8 | P103 | P103-V105 PolarHBondContact O-N 3.1Å; P103-V105 VanDerWaalsContact O-N 3.12Å |
| 106 | F | 90.9 | Very high | 82 | Confident | 8 Ų | 8 | 83.5 Ų | 83.5 | 4% | 0.035 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -96.1 | 124.2 | -178.5 | -65.1 | -38.6 | 0 | 0 | 0 | 112 | I27 R29 Y68 W102 P103 S104 | I27-F106 HydrophobicContact CG2-CD2 4.08Å; I27-F106 HydrophobicContact CG2-CE2 4.06Å; R29-F106 HydrophobicContact CB-CD1 4.32Å; R29-F106 HydrophobicContact CB-CE1 3.91Å; R29-F106 HydrophobicContact CB-CZ 4.27Å; Y68-F106 HydrophobicContact CD1-CD2 4.22Å; Y68-F106 HydrophobicContact CD1-CG 4.29Å; Y68-F106 HydrophobicContact CE1-CB 3.65Å; Y68-F106 HydrophobicContact CE1-CD1 4.03Å; Y68-F106 HydrophobicContact CE1-CD2 4.04Å; Y68-F106 AromaticContact CE1-CG 3.65Å; Y68-F106 HydrophobicContact CE1-CG 3.65Å; W102-F106 HydrophobicContact CZ2-CB 3.92Å; W102-F106 PolarHBondContact NE1-O 3.46Å; P103-F106 HydrophobicContact CB-CD2 4.35Å; P103-F106 HydrophobicContact CG-CB 4.48Å; P103-F106 HydrophobicContact CG-CD2 3.35Å; P103-F106 HydrophobicContact CG-CE2 3.85Å; P103-F106 HydrophobicContact CG-CG 4.25Å; P103-F106 PolarHBondContact O-N 3.42Å; P103-F106 VanDerWaalsContact O-N 3.13Å; S104-F106 VanDerWaalsContact C-N 3.26Å; S104-F106 PolarHBondContact O-N 3.25Å |
| 107 | P | 87.3 | Confident | 79.9 | Confident | 81 Ų | 81 | 92.7 Ų | 92.7 | 53% | 0.526 | 49% | 0.485 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 140 | 174.2 | 28.1 | -33.9 | 0 | 0 | 0 | 109.9 | Y68 | Y68-P107 PolarHBondContact OH-O 3.31Š|
| 108 | L | 85.2 | Confident | 77.8 | Confident | 45 Ų | 45 | 96.6 Ų | 96.6 | 24% | 0.236 | 50% | 0.5 | C | S | . | . | P | Polyproline II helix | trans | -66.1 | 132.4 | 171.5 | -82.8 | 73.9 | 0 | 0 | 0 | 108.6 | Y97 R110 A113 | Y97-L108 HydrophobicContact CD1-CD2 4.09Å; Y97-L108 HydrophobicContact CD2-CD1 3.75Å; Y97-L108 HydrophobicContact CD2-CD2 3.62Å; Y97-L108 HydrophobicContact CD2-CG 4.1Å; Y97-L108 HydrophobicContact CE1-CD2 4.17Å; Y97-L108 HydrophobicContact CE2-CD1 3.64Å; Y97-L108 HydrophobicContact CE2-CD2 3.73Å; Y97-L108 HydrophobicContact CE2-CG 4.28Å; Y97-L108 HydrophobicContact CG-CD2 3.79Å; L108-R110 PolarHBondContact O-N 2.93Å; L108-A113 HydrophobicContact CB-CB 4.38Å |
| 109 | P | 78.5 | Confident | 75.6 | Confident | 34 Ų | 34 | 95 Ų | 95 | 22% | 0.221 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -60 | 139.2 | 171.5 | 19.3 | -22.5 | 0 | 0 | 0 | 108.5 | Y68 I93 R111 A112 A113 | Y68-P109 HydrophobicContact CE2-CG 4.29Å; I93-P109 HydrophobicContact CD1-CG 3.68Å; I93-P109 HydrophobicContact CG2-CG 4.37Å; P109-R111 PolarHBondContact O-N 3.02Å; P109-A112 HydrophobicContact CG-CB 3.66Å; P109-A112 WeakPolarHBondContact O-CA 3.48Å; P109-A112 PolarHBondContact O-N 3.39Å; P109-A113 PolarHBondContact O-N 2.95Å |
| 110 | R | 74.5 | Confident | 73.9 | Confident | 244 Ų | 244 | 95.3 Ų | 95.3 | 92% | 0.921 | 50% | 0.496 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -29.5 | -175.8 | -67.7 | -173.7 | -179.4 | -147.8 | 0.9 | 113.6 | L108 | L108-R110 PolarHBondContact O-N 2.93Š|
| 111 | R | 75.6 | Confident | 72.4 | Confident | 195 Ų | 195 | 100.2 Ų | 100.2 | 74% | 0.736 | 50% | 0.502 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -32.4 | 176.7 | -65.9 | -179 | -178.8 | 173.2 | -1.5 | 112.9 | D90 R94 P109 | D90-R111 HydrophobicContact CB-CB 4.47Å; D90-R111 WeakPolarHBondContact OD2-CB 3.21Å; D90-R111 WeakPolarHBondContact OD2-CD 3.35Å; R94-R111 PolarHBondContact NH2-O 3.24Å; P109-R111 PolarHBondContact O-N 3.02Å |
| 112 | A | 72.5 | Confident | 70.8 | Confident | 1 Ų | 1 | 104.4 Ų | 104.4 | 1% | 0.008 | 52% | 0.519 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.4 | -26.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | D90 I93 R94 P109 | D90-A112 HydrophobicContact CB-CB 4.33Å; I93-A112 HydrophobicContact CB-CB 4.02Å; I93-A112 HydrophobicContact CG2-CB 3.74Å; R94-A112 HydrophobicContact CG-CB 4.1Å; R94-A112 WeakPolarHBondContact CG-O 3.44Å; R94-A112 PolarHBondContact NE-O 3.49Å; P109-A112 HydrophobicContact CG-CB 3.66Å; P109-A112 WeakPolarHBondContact O-CA 3.48Å; P109-A112 PolarHBondContact O-N 3.39Å |
| 113 | A | 63.1 | Low | 69.3 | Low | 30 Ų | 30 | 110.2 Ų | 110.2 | 25% | 0.248 | 55% | 0.552 | C | S | . | * | S | Bend | trans | -52.9 | 138.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111 | L108 P109 K115 | L108-A113 HydrophobicContact CB-CB 4.38Å; P109-A113 PolarHBondContact O-N 2.95Å; A113-K115 PolarHBondContact O-N 3.15Å |
| 114 | P | 60.8 | Low | 67.7 | Low | 90 Ų | 90 | 117.6 Ų | 117.6 | 58% | 0.584 | 58% | 0.582 | S | S | * | * | P | Polyproline II helix | trans | -56 | 127.6 | 169.7 | 23.9 | -31.3 | 0 | 0 | 0 | 107.4 | ||
| 115 | K | 60.6 | Low | 66.6 | Low | 176 Ų | 176 | 116.6 Ų | 116.6 | 77% | 0.765 | 57% | 0.573 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 132.7 | 173.7 | -67.6 | 176.7 | -178.2 | 177.4 | 0 | 106.3 | A113 E117 | A113-K115 PolarHBondContact O-N 3.15Å; K115-E117 PolarHBondContact O-N 3.21Å; K115-E117 VanDerWaalsContact O-N 3.1Å |
| 116 | P | 57 | Low | 65.2 | Low | 112 Ų | 112 | 118 Ų | 118 | 73% | 0.727 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 125.1 | 167.1 | 25.6 | -31.8 | 0 | 0 | 0 | 106.6 | Y118 | P116-Y118 VanDerWaalsContact C-N 3.26Å; P116-Y118 PolarHBondContact O-N 2.7Å |
| 117 | E | 50.2 | Low | 63.3 | Low | 193 Ų | 193 | 123.1 Ų | 123.1 | 90% | 0.902 | 62% | 0.621 | S | S | * | * | trans | -58.1 | 99.5 | 166.7 | -118.6 | 171.2 | -177.6 | 0 | 0 | 105.7 | K115 N119 | K115-E117 PolarHBondContact O-N 3.21Å; K115-E117 VanDerWaalsContact O-N 3.1Å; E117-N119 PolarHBondContact O-N 3.16Å; E117-N119 VanDerWaalsContact O-N 3.08Å | ||
| 118 | Y | 46.9 | Very low | 61.7 | Low | 185 Ų | 185 | 123.7 Ų | 123.7 | 73% | 0.725 | 63% | 0.633 | S | S | * | * | trans | -72.9 | 101.6 | 170 | 61.6 | -73.5 | 0 | 0 | 0 | 104.6 | P116 I120 | P116-Y118 VanDerWaalsContact C-N 3.26Å; P116-Y118 PolarHBondContact O-N 2.7Å; Y118-I120 VanDerWaalsContact C-N 3.3Å; Y118-I120 HydrophobicContact CD2-CG2 3.2Å; Y118-I120 HydrophobicContact CE2-CG2 3.2Å; Y118-I120 HydrophobicContact CG-CG2 4.43Å; Y118-I120 PolarHBondContact O-N 2.78Å | ||
| 119 | N | 45.4 | Very low | 59.9 | Low | 94 Ų | 94 | 126.3 Ų | 126.3 | 50% | 0.503 | 66% | 0.655 | S | S | . | * | trans | -68.1 | 93.6 | 172 | -169.7 | 17.3 | 0 | 0 | 0 | 107.6 | E117 E121 E122 | E117-N119 PolarHBondContact O-N 3.16Å; E117-N119 VanDerWaalsContact O-N 3.08Å; N119-E121 PolarHBondContact O-N 3.46Å; N119-E122 PolarHBondContact O-N 3.18Å | ||
| 120 | I | 58.8 | Low | 58.7 | Low | 107 Ų | 107 | 133.4 Ų | 133.4 | 55% | 0.549 | 69% | 0.685 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -64.1 | -4.2 | 178.4 | 49.1 | 174.9 | 0 | 0 | 0 | 113.9 | Y118 | Y118-I120 VanDerWaalsContact C-N 3.3Å; Y118-I120 HydrophobicContact CD2-CG2 3.2Å; Y118-I120 HydrophobicContact CE2-CG2 3.2Å; Y118-I120 HydrophobicContact CG-CG2 4.43Å; Y118-I120 PolarHBondContact O-N 2.78Å |
| 121 | E | 58.7 | Low | 57.3 | Low | 167 Ų | 167 | 127.5 Ų | 127.5 | 78% | 0.78 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -13.6 | 179.9 | -69.3 | -174.6 | 156.9 | 0 | 0 | 113.9 | N119 | N119-E121 PolarHBondContact O-N 3.46Š|
| 122 | E | 59.5 | Low | 55.9 | Low | 171 Ų | 171 | 122.7 Ų | 122.7 | 80% | 0.799 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -106 | -10.5 | -179.9 | -80.5 | -175.1 | 122.4 | 0 | 0 | 115.3 | N119 | N119-E122 PolarHBondContact O-N 3.18Š|
| 123 | D | 60 | Low | 54.8 | Low | 147 Ų | 147 | 127.6 Ų | 127.6 | 79% | 0.786 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -103.3 | 13.4 | -178.5 | -159.7 | 39.8 | 0 | 0 | 0 | 113.7 | P125 | D123-P125 VanDerWaalsContact O-CD 3.23Å; D123-P125 WeakPolarHBondContact O-CD 3.29Å |
| 124 | F | 57.7 | Low | 54.4 | Low | 174 Ų | 174 | 134.9 Ų | 134.9 | 76% | 0.763 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -81.3 | 110.9 | 165.7 | -104.8 | -92.4 | 0 | 0 | 0 | 108.9 | ||
| 125 | P | 65.8 | Low | 53.9 | Low | 102 Ų | 102 | 137.9 Ų | 137.9 | 66% | 0.662 | 74% | 0.744 | S | S | * | * | trans | -60.7 | 136.6 | 173.1 | 26 | -33.1 | 0 | 0 | 0 | 108.5 | D123 S127 | D123-P125 VanDerWaalsContact O-CD 3.23Å; D123-P125 WeakPolarHBondContact O-CD 3.29Å; P125-S127 PolarHBondContact O-N 3.29Å | ||
| 126 | P | 60.3 | Low | 53.5 | Low | 122 Ų | 122 | 138.1 Ų | 138.1 | 79% | 0.792 | 75% | 0.748 | S | S | * | * | trans | -59.6 | 118.3 | 173.9 | 25 | -31.9 | 0 | 0 | 0 | 107.6 | A128 | P126-A128 PolarHBondContact O-N 2.97Š| ||
| 127 | S | 51.1 | Low | 53.4 | Low | 115 Ų | 115 | 139.4 Ų | 139.4 | 80% | 0.804 | 75% | 0.754 | S | S | * | * | trans | -62.3 | 84.5 | 171.9 | -172.9 | 0 | 0 | 0 | 0 | 108.6 | P125 S129 | P125-S127 PolarHBondContact O-N 3.29Å; S127-S129 VanDerWaalsContact C-N 3.28Å; S127-S129 PolarHBondContact O-N 3.19Å | ||
| 128 | A | 53.8 | Low | 53.4 | Low | 94 Ų | 94 | 136.5 Ų | 136.5 | 78% | 0.777 | 75% | 0.751 | S | S | * | * | trans | -86.9 | 77 | 169.9 | 0 | 0 | 0 | 0 | 0 | 107.8 | P126 E130 | P126-A128 PolarHBondContact O-N 2.97Å; A128-E130 VanDerWaalsContact C-N 3.34Å; A128-E130 PolarHBondContact O-N 3.03Å; A128-E130 VanDerWaalsContact O-N 3.11Å | ||
| 129 | S | 48.3 | Very low | 53.9 | Low | 100 Ų | 100 | 133.6 Ų | 133.6 | 70% | 0.699 | 76% | 0.758 | S | S | * | * | trans | -72.1 | 86.2 | 165.2 | 57.7 | 0 | 0 | 0 | 0 | 109.3 | S127 | S127-S129 VanDerWaalsContact C-N 3.28Å; S127-S129 PolarHBondContact O-N 3.19Å | ||
| 130 | E | 52.2 | Low | 54.3 | Low | 183 Ų | 183 | 134.7 Ų | 134.7 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | trans | -158.8 | 122.6 | 154 | -83.9 | -148.7 | 94.1 | 0 | 0 | 110.3 | A128 | A128-E130 VanDerWaalsContact C-N 3.34Å; A128-E130 PolarHBondContact O-N 3.03Å; A128-E130 VanDerWaalsContact O-N 3.11Å | ||
| 131 | S | 46.1 | Very low | 54 | Low | 119 Ų | 119 | 135 Ų | 135 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | trans | 67.5 | 132.8 | 151.3 | 173.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 132 | S | 45.5 | Very low | 54 | Low | 95 Ų | 95 | 134.1 Ų | 134.1 | 66% | 0.664 | 77% | 0.772 | S | S | * | * | cis | 178.3 | 139.5 | -2.7 | -172.7 | 0 | 0 | 0 | 0 | 104.1 | ||||
| 133 | S | 49.2 | Very low | 53.8 | Low | 104 Ų | 104 | 134.7 Ų | 134.7 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 67.6 | 107.4 | 144.6 | -55.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 134 | K | 54.4 | Low | 53.5 | Low | 182 Ų | 182 | 133 Ų | 133 | 79% | 0.791 | 77% | 0.774 | S | S | * | * | 122.6 | 133.9 | 103.1 | -165.7 | 157.1 | -177.9 | 175.2 | 0 | 117.8 | |||||
| 135 | E | 50.2 | Low | 53.4 | Low | 153 Ų | 153 | 128.4 Ų | 128.4 | 72% | 0.715 | 76% | 0.763 | S | S | * | * | trans | 79.5 | 96.9 | 163.3 | -79.9 | 165.2 | -163 | 0 | 0 | 116.9 | ||||
| 136 | E | 53.6 | Low | 53 | Low | 182 Ų | 182 | 131.6 Ų | 131.6 | 85% | 0.85 | 77% | 0.769 | S | S | * | * | 65.4 | 90.5 | 73.8 | -61.9 | -149.3 | 146.4 | 0 | 0 | 114.5 | |||||
| 137 | T | 53.4 | Low | 52.9 | Low | 139 Ų | 139 | 133.9 Ų | 133.9 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -150.5 | 123.6 | 136.5 | 48.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 138 | P | 51.1 | Low | 53.2 | Low | 131 Ų | 131 | 136.6 Ų | 136.6 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | -99.3 | 115.2 | 162 | 31.6 | -20.9 | 0 | 0 | 0 | 108.5 | ||||
| 139 | S | 56.2 | Low | 53.2 | Low | 124 Ų | 124 | 140.9 Ų | 140.9 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | -100.7 | 104.1 | 169.8 | -165.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 140 | D | 55.1 | Low | 53.6 | Low | 118 Ų | 118 | 145.1 Ų | 145.1 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | trans | -49 | 135.1 | 163.7 | -163.7 | -93 | 0 | 0 | 0 | 113.5 | ||||
| 141 | S | 52.5 | Low | 53.6 | Low | 112 Ų | 112 | 145 Ų | 145 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -176.6 | 83.5 | 145.9 | -80.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 142 | E | 57.7 | Low | 54.2 | Low | 150 Ų | 150 | 144.4 Ų | 144.4 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | 16.4 | 114.4 | 125.2 | -40.4 | -68 | 85 | 0 | 0 | 115.7 | |||||
| 143 | E | 55.2 | Low | 54.4 | Low | 183 Ų | 183 | 148.2 Ų | 148.2 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | 65.7 | 110.2 | 78 | -164.2 | 161.4 | 97.6 | 0 | 0 | 115.1 | |||||
| 144 | S | 54.1 | Low | 54.7 | Low | 111 Ų | 111 | 148.5 Ų | 148.5 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | -164.2 | 96.1 | 154.8 | -176.8 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 145 | S | 56.3 | Low | 54.8 | Low | 77 Ų | 77 | 148.5 Ų | 148.5 | 54% | 0.538 | 79% | 0.785 | S | S | . | * | 62.7 | 103.6 | 99.3 | -75.7 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 146 | E | 56.9 | Low | 55 | Low | 169 Ų | 169 | 149.1 Ų | 149.1 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | 86.2 | 123.7 | 98.3 | -73.5 | 165.8 | 135.9 | 0 | 0 | 109.7 | |||||
| 147 | E | 58.6 | Low | 54.9 | Low | 170 Ų | 170 | 148 Ų | 148 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | 160.6 | 150.8 | 95.4 | -78 | -178.7 | -176.5 | 0 | 0 | 103.8 | |||||
| 148 | E | 56.8 | Low | 54.8 | Low | 172 Ų | 172 | 147.7 Ų | 147.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | cis | -164.9 | 153.9 | -0.1 | -106.2 | -176.4 | -179.7 | 0 | 0 | 106.1 | ||||
| 149 | E | 54.5 | Low | 54.6 | Low | 184 Ų | 184 | 146.5 Ų | 146.5 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -80.6 | 142.7 | 171.9 | -58.5 | 179.1 | 159.3 | 0 | 0 | 109.9 | ||||
| 150 | E | 56.6 | Low | 54.6 | Low | 190 Ų | 190 | 146.4 Ų | 146.4 | 89% | 0.888 | 79% | 0.787 | S | S | * | * | trans | -148.3 | 114.4 | 146.1 | -86.4 | -134.9 | 150.9 | 0 | 0 | 110.8 | ||||
| 151 | E | 52.3 | Low | 54.3 | Low | 180 Ų | 180 | 145.6 Ų | 145.6 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | trans | -78.6 | 138.2 | 160.9 | -63.9 | -173.1 | 143.7 | 0 | 0 | 109.2 | ||||
| 152 | S | 58.3 | Low | 54.2 | Low | 106 Ų | 106 | 145.3 Ų | 145.3 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | -144 | 99.7 | 167.7 | 165.6 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 153 | E | 50.2 | Low | 54.1 | Low | 175 Ų | 175 | 147.1 Ų | 147.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -86.3 | 132.7 | 165.1 | -44.4 | -160.5 | 152.6 | 0 | 0 | 107.5 | ||||
| 154 | T | 54.6 | Low | 53.9 | Low | 110 Ų | 110 | 147 Ų | 147 | 68% | 0.675 | 80% | 0.796 | S | S | * | * | trans | -144.6 | 101.5 | 164.8 | -44 | 0 | 0 | 0 | 0 | 109.1 | E156 | T154-E156 HydrophobicContact CG2-CG 4.06Š| ||
| 155 | E | 55.6 | Low | 53.6 | Low | 182 Ų | 182 | 148.3 Ų | 148.3 | 85% | 0.85 | 80% | 0.8 | S | S | * | * | trans | -75.5 | 121 | 159.6 | -63.2 | -89.8 | 146.2 | 0 | 0 | 107 | ||||
| 156 | E | 55.4 | Low | 53.3 | Low | 167 Ų | 167 | 150.2 Ų | 150.2 | 78% | 0.78 | 81% | 0.813 | S | S | * | * | trans | -123.1 | 105 | 162.2 | -74.7 | -156.6 | 137.9 | 0 | 0 | 109.8 | T154 T158 | T154-E156 HydrophobicContact CG2-CG 4.06Å; E156-T158 PolarHBondContact O-N 3.27Å | ||
| 157 | D | 50.8 | Low | 53.3 | Low | 159 Ų | 159 | 147.8 Ų | 147.8 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | trans | -55.7 | 121.8 | 158.8 | -83.2 | -67.3 | 0 | 0 | 0 | 110.5 | ||||
| 158 | T | 52 | Low | 52.9 | Low | 131 Ų | 131 | 148.5 Ų | 148.5 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -128.4 | 92.6 | 159.3 | 48.6 | 0 | 0 | 0 | 0 | 109.9 | E156 | E156-T158 PolarHBondContact O-N 3.27Š| ||
| 159 | A | 47.9 | Very low | 52.8 | Low | 107 Ų | 107 | 149.5 Ų | 149.5 | 88% | 0.884 | 82% | 0.822 | S | S | * | * | trans | -73.7 | 115.5 | 159.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 160 | S | 54.2 | Low | 52.7 | Low | 122 Ų | 122 | 146.1 Ų | 146.1 | 85% | 0.853 | 82% | 0.819 | S | S | * | * | trans | -125.4 | 125.9 | 161 | -166.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 161 | S | 49.3 | Very low | 52.8 | Low | 101 Ų | 101 | 142.6 Ų | 142.6 | 71% | 0.706 | 82% | 0.815 | S | S | * | * | trans | -78.3 | 165.3 | -177.7 | -177.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 162 | S | 51.6 | Low | 52.6 | Low | 106 Ų | 106 | 137.7 Ų | 137.7 | 74% | 0.741 | 81% | 0.813 | S | S | * | * | trans | 71.5 | 138.3 | 162.7 | 66.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 163 | E | 54 | Low | 52.6 | Low | 187 Ų | 187 | 141 Ų | 141 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | cis | -146.3 | 154.4 | 38.8 | -71.9 | -179.3 | 115.2 | 0 | 0 | 113 | ||||
| 164 | E | 51.8 | Low | 52.9 | Low | 181 Ų | 181 | 137.2 Ų | 137.2 | 85% | 0.846 | 81% | 0.814 | S | S | * | * | trans | -75.2 | 138.4 | 168 | -53.4 | -154.3 | 123.3 | 0 | 0 | 111.1 | ||||
| 165 | T | 48.7 | Very low | 52.8 | Low | 139 Ų | 139 | 140.5 Ų | 140.5 | 85% | 0.853 | 82% | 0.822 | S | S | * | * | trans | -144.7 | 104.5 | 149 | 52.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 166 | S | 49.9 | Very low | 53 | Low | 117 Ų | 117 | 135.8 Ų | 135.8 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | -67.9 | 135.1 | 161.4 | -67 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 167 | S | 56.6 | Low | 52.9 | Low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 81% | 0.81 | S | S | * | * | trans | -147.8 | 98.4 | 150.9 | 60 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 168 | E | 50.7 | Low | 53.2 | Low | 185 Ų | 185 | 130.2 Ų | 130.2 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -59.7 | 133.2 | 158.3 | -70.8 | 177.1 | 86.4 | 0 | 0 | 109.2 | ||||
| 169 | Q | 54.5 | Low | 53.6 | Low | 193 Ų | 193 | 130.3 Ų | 130.3 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -139.9 | 88.8 | 156.6 | -135.3 | 173.1 | -2.2 | 0 | 0 | 108.9 | ||||
| 170 | S | 51.8 | Low | 53.8 | Low | 113 Ų | 113 | 134.1 Ų | 134.1 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -71.7 | 122.8 | 159.2 | 51.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 171 | S | 58.6 | Low | 53.9 | Low | 116 Ų | 116 | 136.1 Ų | 136.1 | 81% | 0.811 | 79% | 0.793 | S | S | * | * | trans | -136.2 | 102.6 | 154.6 | 60 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 172 | G | 48.9 | Very low | 54.4 | Low | 77 Ų | 77 | 140.2 Ų | 140.2 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | -71.8 | 144.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 173 | I | 57.9 | Low | 54.7 | Low | 175 Ų | 175 | 141.2 Ų | 141.2 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -132.5 | 113.8 | 152.1 | -121.2 | 156 | 0 | 0 | 0 | 106.5 | ||||
| 174 | S | 55.8 | Low | 55.2 | Low | 97 Ų | 97 | 138.1 Ų | 138.1 | 68% | 0.678 | 80% | 0.797 | S | S | * | * | trans | -91.9 | 174 | 172.4 | 45.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 175 | E | 53.9 | Low | 55.9 | Low | 179 Ų | 179 | 134 Ų | 134 | 84% | 0.836 | 79% | 0.788 | S | S | * | * | trans | 77.4 | 134.2 | 170.3 | -79.7 | 174 | 70.7 | 0 | 0 | 115.5 | ||||
| 176 | S | 58.2 | Low | 56.8 | Low | 82 Ų | 82 | 136.1 Ų | 136.1 | 57% | 0.573 | 79% | 0.788 | S | S | * | * | cis | 177.8 | 146.9 | 6 | 39.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 177 | T | 53.7 | Low | 57.6 | Low | 132 Ų | 132 | 139 Ų | 139 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | 51.5 | 139.7 | 137.4 | 61.8 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 178 | A | 57.9 | Low | 58 | Low | 78 Ų | 78 | 138.6 Ų | 138.6 | 65% | 0.645 | 78% | 0.782 | S | S | * | * | cis | 176.9 | 162.8 | 18.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 179 | T | 59.2 | Low | 58.8 | Low | 132 Ų | 132 | 134.4 Ų | 134.4 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | 55.9 | 109.2 | 147.3 | 53.5 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 180 | K | 52.5 | Low | 59.3 | Low | 187 Ų | 187 | 134.7 Ų | 134.7 | 81% | 0.813 | 80% | 0.796 | S | S | * | * | 60.3 | 132.4 | 68.7 | -145.3 | -170.2 | -175.9 | -169 | 0 | 114.2 | |||||
| 181 | E | 57.3 | Low | 59.6 | Low | 165 Ų | 165 | 135.8 Ų | 135.8 | 77% | 0.771 | 80% | 0.797 | S | S | * | * | trans | 85.3 | 136.6 | 174.8 | -56 | -179.2 | 161.6 | 0 | 0 | 112.6 | ||||
| 182 | E | 59.7 | Low | 59.7 | Low | 186 Ų | 186 | 136.8 Ų | 136.8 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | cis | -163.7 | 168.1 | 33 | -138.6 | 174 | 150.3 | 0 | 0 | 111.4 | ||||
| 183 | D | 56.3 | Low | 60.3 | Low | 127 Ų | 127 | 140.1 Ų | 140.1 | 68% | 0.679 | 80% | 0.796 | S | S | * | * | trans | -55.8 | 148.9 | -178.3 | -173.3 | -175.4 | 0 | 0 | 0 | 116 | S185 | D183-S185 PolarHBondContact OD2-N 3.43Å; D183-S185 PolarHBondContact OD2-OG 3.24Å | ||
| 184 | S | 64.8 | Low | 60.4 | Low | 122 Ų | 122 | 138.1 Ų | 138.1 | 85% | 0.853 | 79% | 0.79 | S | S | * | * | trans | -151.3 | 94.9 | 151.2 | -137.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 185 | S | 66.1 | Low | 60.7 | Low | 94 Ų | 94 | 140.6 Ų | 140.6 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | trans | -60.5 | 133.7 | 161.8 | -65.1 | 0 | 0 | 0 | 0 | 112.6 | D183 | D183-S185 PolarHBondContact OD2-N 3.43Å; D183-S185 PolarHBondContact OD2-OG 3.24Å | ||
| 186 | Q | 68.4 | Low | 61.2 | Low | 185 Ų | 185 | 138.1 Ų | 138.1 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -157.6 | 136.3 | 149.9 | -113.2 | 177.9 | -35.6 | 0 | 0 | 109.5 | ||||
| 187 | K | 66.4 | Low | 61.4 | Low | 176 Ų | 176 | 142.1 Ų | 142.1 | 77% | 0.765 | 81% | 0.81 | S | S | * | * | cis | 171.3 | 126 | -19.6 | -174.5 | 167.8 | -170.5 | -178.6 | 0 | 104.3 | ||||
| 188 | C | 66.3 | Low | 62 | Low | 109 Ų | 109 | 142.8 Ų | 142.8 | 74% | 0.736 | 81% | 0.81 | S | S | * | * | trans | 60.3 | 153.2 | 149.5 | -67 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 189 | S | 67.1 | Low | 62.3 | Low | 98 Ų | 98 | 148.3 Ų | 148.3 | 69% | 0.685 | 82% | 0.824 | S | S | * | * | cis | -176.8 | 152.7 | -8.7 | -94.8 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 190 | S | 63.6 | Low | 62.6 | Low | 198 Ų | 198 | 149.7 Ų | 149.7 | 100% | 1.385 | 83% | 0.825 | S | S | * | * | trans | 72.1 | 0 | 159.9 | -68.3 | 0 | 0 | 0 | 0 | 119.1 |
Retrieved 190 of 190 residues in 454.8 ms
(Link to these results)